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Accession Number

000020225

Author

Sherstyuk AI .

Title

A theoretical study of the glass crystallization process by a differential thermal analysis system.

Source

Optiko-Mekhanicheskaya Promyshlennost, vol.33, no.2, Jan. 1966, pp.28-32. USSR.

Country of Publication

USSR.

Translated Source

Soviet Journal of Optical Technology (USA), vol.33, no.1, Jan. 1966, pp.77-81. CODEN: SJOTBH. ISSN: 0038-5514.

Abstract

A method is discussed for the mathematical development of thermograms which make it possible to determine both the thermal effect of a reaction and also the temperature dependence of the relative rate of crystallization. The method is illustrated with a specific example.

Abstract Number

A69013568

Subject Headings

Crystallisation
Glass

Classification Codes

Structure of glasses [A6140D].

CODEN

OPMPAQ

Language

English.

ISSN

0030-4042.

Publication Type

Journal Paper.

Update Code

196900.

Accession Number

000324114

Author

Sherstyuk AI .

Title

Reduced Coulomb-Green function for the radial Schrodinger equation.

Source

Optika i Spektroskopiya, vol.30, no.2, Feb. 1971, pp.356-7. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.30, no.2, Feb. 1971, pp.191-2. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The application of perturbation theory to interelectronic interaction, using hydrogen-like functions as basis functions of the unperturbed problem, has recently gained popularity for computing the spectroscopic properties of atoms. In this case, it is convenient to use the Coulomb-Green function (CGF) g(x, x', E), for the computation of infinite series. An expression of the reduced CGF for calculating states with arbitrary values of principal quantum number n and azimuthal quantum number l is derived in this paper.

Abstract Number

A71077728

Subject Headings

Wave equations

Key Phrase Identifiers

radial Schrodinger equation; interelectronic interaction; spectroscopic properties; atoms; states with arbitrary values of principal quantum number n and azimuthal quantum number l; reduced Coulomb Green function.

Classification Codes

Solutions of wave equations: bound state in quantum theory [A0365G]; Quantum theory; quantum mechanics [A0365].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197100.

Accession Number

000402286

Author

Pavinskii PP. Sherstyuk AI .

Title

Nuclear charge parameters for heavy ions and atoms.

Source

Vestnik Leningradskogo Universiteta, Fizika i Khimiya, no.1, 1972, pp.155-6. USSR.

Country of Publication

USSR.

Abstract

Numerical values of the effective nuclear charges are quoted for l-shells of the atoms and ions, having eleven and twelve closed l-shells of electrons. (6 References).

Abstract Number

A72046404

Subject Headings

Atomic structure

Key Phrase Identifiers

effective nuclear charges; l-shells; 12 closed electrons; 11 closed electrons; heavy ions; heavy atoms.

Classification Codes

Specific calculations and results for atoms and molecules [A3120].

Treatment

Theoretical or mathematical.

CODEN

VLUFBI

Language

Russian.

ISSN

0024-0826.

Publication Type

Journal Paper.

Update Code

197200.

Accession Number

000500934

Author

Sherstyuk AI .

Title

Perturbation of bound states of a Dirac equation for an electron in a central-symmetry field.

Source

Zhurnal Eksperimentalnoi i Teoreticheskoi Fiziki, vol.62, no.4, April 1972, pp.1238-47. USSR.

Country of Publication

USSR.

Translated Source

Soviet Physics - JETP (USA), vol.35, no.4, Oct. 1972, pp.655-8. CODEN: SPHJAR. ISSN: 0038-5646.

Abstract

The correction to the wave function in the problem of perturbation of bound states of a Dirac electron in a Coulomb field by an arbitrary central-symmetry potential is represented as an expansion in the complete set of eigenfunctions of a Sturm-Liouville operator which processes only a discrete spectrum. This approach circumvents summation over continuous energy states with both negative or positive energies. Hence in a number of cases infinite sums of perturbation can be represented in a closed form. Finite expressions for first-order corrections to the electron Dirac wave function in the field of a screened Coulomb potential are obtained explicitly. The second and third order energies are expressed in terms of one of the components of the first order wave function. (9 References).

Abstract Number

A73022713

Subject Headings

Dirac equation
Perturbation theory

Key Phrase Identifiers

bound states; Dirac equation; electron; wave function; Coulomb field; eigenfunctions; infinite sums; perturbation theory; closed form; central symmetry field; Sturm Liouville operator; first order corrections.

Classification Codes

Solutions of wave equations: bound state in quantum theory [A0365G].

Treatment

Theoretical or mathematical.

CODEN

ZETFA7

Language

English.

ISSN

0044-4510.

Publication Type

Journal Paper.

Update Code

197300.

Accession Number

000836426

Author

Sherstyuk AI .

Title

Determination of closed expressions for the perturbation theory corrections to the wave functions of bound states by means of a Sturm function expansion.

Source

Teoreticheskaya i Matematicheskaya Fizika, vol.21, no.2, Nov. 1974, pp.224-32. USSR.

Country of Publication

USSR.

Translated Source

Theoretical and Mathematical Physics (USA), vol.21, no.2, Nov. 1974, pp.1097-104. CODEN: TMPHAH. ISSN: 0040-5779.

Abstract

By summation of expansions with respect to a complete system of eigenfunctions of a Sturm-Liouville type operator with only a discrete spectrum, closed expressions are obtained for the first- and second-order perturbation corrections to the wave function of an arbitrary bound state of an electron in a Coulomb field in the presence of a centrally symmetric perturbing potential. (9 References).

Abstract Number

A75083770

Subject Headings

Perturbation theory
Wave functions

Key Phrase Identifiers

closed expressions; perturbation theory corrections; wave functions of bound states; Sturm Liouville operator; centrally symmetric perturbing potential.

Classification Codes

Solutions of wave equations: bound state in quantum theory [A0365G].

Treatment

Theoretical or mathematical.

CODEN

TMFZAL

Language

English.

ISSN

0564-6162.

Publication Type

Journal Paper.

Update Code

197500.

Accession Number

000849104

Author

Sherstyuk AI .

Title

Possibility of excluding a continuous spectrum from the calculation of electronic states of a molecular hydrogen ion. I. The Sturm expansion of the Green's function in two-centre problems.

Source

Optika i Spektroskopiya, vol.38, no.5, May 1975, pp.1040-2. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.38, no.5, May 1975, pp.601-2. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The author shows through the development of the theory, that Sturm expansions can be used in calculations of two-centre systems. The author shows that the procedure may be developed to multicentred systems. (9 References).

Abstract Number

A76004817

Subject Headings

Green's function methods
Hydrogen ions

Non-Thesaurus Subject Headings

inorganic molecule electronic structure

Key Phrase Identifiers

continuous spectrum; electronic states; Sturm expansion; Green's function; multicentred systems; H/sub 2//sup +/; two centre system.

Classification Codes

General theory of structure, transitions and chemical binding in atoms and molecules [A3110]; Specific calculations and results for atoms and molecules [A3120].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197600.

Accession Number

000997231

Author

Gruzdev PF. Sherstyuk AI .

Title

Use of Coulomb functions with the effective orbital quantum number for the calculation of oscillator strengths in many-electron atoms.

Source

Optika i Spektroskopiya, vol.40, no.4, April 1976, pp.617-21. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.40, no.4, April 1976, pp.353-5. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

By using a modified Bates-Damgaard (BD) radial equation approximation the corresponding analytical radial function, P/sub nl/ can be obtained over the entire range of variation of r. This is used to calculate the oscillator strengths of a number of transitions in sodium and thallium atoms and this data is compared with that calculated using the unmodified BD Coulomb approximation. (14 References).

Abstract Number

A77003311

Subject Headings

Oscillator strengths
Sodium
Thallium

Non-Thesaurus Subject Headings

atomic orbitals calculations

Key Phrase Identifiers

Coulomb functions; effective orbital quantum number; oscillator strengths; analytical radial function; many electron atoms; atomic transitions; Na; Tl; Ne; modified Bates Damgaard radial equation approximation; orbital parameter; configurational perturbation.

Classification Codes

Atomic oscillator strengths, transition moments [A3270C].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197700.

Accession Number

001009994

Author

Sherstyuk AI. Yakovleva NS .

Title

Possibility of excluding the continuous spectrum from the calculation of electron states of the molecular hydrogen ion. II. Dependence of polarisability on internuclear distance.

Source

Optika i Spektroskopiya, vol.40, no.6, June 1976, pp.977-81. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.40, no.6, June 1976, pp.560-2. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

For pt.I see ibid., vol. 38, p.601 (1975). A method of independently calculating the contributions of each term in an expansion of the Green's function in partial spheroidal harmonics in the case of two Coulomb force centres is derived analytically and is applied to the calculation of the polarisability of the H/sub 2//sup +/ ion for internuclear distances in the range 0.4-3.4 atu range. Results are tabulated; figures for the dependence of the anisotropy of the polarisability on the internuclear distance are also given. It is shown that the main contribution of the polarisability comes from p-type states for all values of internuclear distance. (8 References).

Abstract Number

A77010581

Subject Headings

Green's function methods
Hydrogen ions
Perturbation theory
Wave functions

Non-Thesaurus Subject Headings

molecular energy level calculations
molecular polarisability

Key Phrase Identifiers

continuous spectrum; electron states; internuclear distance; Green's function; partial spheroidal harmonics; two Coulomb force centres; polarisability anisotropy; Sturm functions.

Classification Codes

Complete ab initio calculations (atoms and molecules) [A3120D]; Other topics in the theory of atoms and molecules [A3190]; Molecular electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility [A3520M].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197700.

Accession Number

001163689

Author

Sherstyuk AI. Gruzdev PF .

Title

Sturm expansions in the Hartree-Fock method.

Source

Optika i Spektroskopiya, vol.42, no.6, June 1977, pp.1198-200. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.42, no.6, June 1977, pp.690-1. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The possibility of forming the complete system of basis functions of a discrete spectrum for perturbation calculations of atomic steady states in the HF approximation is considered analytically. (9 References).

Abstract Number

A78025409

Subject Headings

HF calculations
Perturbation techniques

Non-Thesaurus Subject Headings

atomic orbitals calculations

Key Phrase Identifiers

Sturm expansions; discrete spectrum; perturbation calculations; atomic steady states; HF approximation; basis function system.

Classification Codes

General mathematical and computational developments for atoms and molecules [A3115].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197800.

Accession Number

001253174

Author

Sherstyuk AI. Yakovleva NS .

Title

Possibility of excluding the continuous spectrum when calculating the electronic states of the hydrogen molecular ion. III. Dynamic polarizability.

Source

Optika i Spektroskopiya, vol.43, no.5, Nov. 1977, pp.843-9. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.43, no.5, Nov. 1977, pp.499-502. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

For pt.II see ibid., vol.40, p.560 (1976). The location of the poles of the two-center Coulombic Green's function in parameter space is investigated, and different possibilities for choosing a set of basic functions are examined. An expansion of the Green's function with respect to the complete set of Coulombic spherical functions of the purely discrete spectrum has been used to calculate exactly the dynamic dipolar polarizability tensor of the H/sub 2//sup +/ ion at different internuclear distances. The results of the calculations in the static limit are compared with the data existing in the literature. (23 References).

Abstract Number

A78082626

Subject Headings

Green's function methods
Hydrogen ions
Molecular electronic states

Non-Thesaurus Subject Headings

molecular orbitals calculations
molecular polarisability

Key Phrase Identifiers

continuous spectrum; electronic states; parameter space; basic functions; Coulombic spherical functions; discrete spectrum; H/sub 2//sup +/ ion; static limit; pole location; two centre Coulombic Green's function; dynamic dipolar polarisability tensor.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Calculational methods (molecular spectra) [A3310C]; Molecular electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility [A3520M].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197800.

Accession Number

001294327

Author

Gruzdev PF. Sherstyuk AI .

Title

Choice of the spectrum of intermediate states in quantum-mechanical calculations.

Source

Izvestiya Akademii Nauk SSSR Seriya Fizicheskaya, vol.41, no.12, 1977, pp.2477-85. USSR.

Country of Publication

USSR.

Translated Source

Bulletin of the Academy of Sciences of the USSR, Physical Series (USA), vol.41, no.12, 1977, pp.11-18. CODEN: BUPSAA. ISSN: 0001-432X.

Conference Information

Proceedings of the All-Union Conference 'Modern Theory of Atoms and Atomic Spectra. Leningrad, USSR. 1-4 Feb. 1977.

Abstract

The possibility is investigated of using Sturm expansions of Green's functions for quantum mechanical systems of a sufficiently general form. The analysis presupposes that the various parameters in the initial Schrodinger equation are capable of quantisation and that this is also the case for the additional parameters that can be introduced by adding a certain self-adjoint operator to the Hamiltonian. The properties of the Green's function in the multidimensional parameter space can be used to obtain expansions over intermediate states related to a particular differential equation, and hence simple and convenient expressions for the corresponding Green's function. One-particle problem examples are treated. A new class of Sturm expansions over discrete spectrum states is found. Accurate physical variable estimation is possible. (17 References).

Abstract Number

A79009132

Subject Headings

Green's function methods
Quantum theory
Series (mathematics)

Key Phrase Identifiers

Sturm expansions; Green's functions; initial Schrodinger equation; differential equation; physical variable estimation; intermediate states spectrum; discrete states spectrum Sturm expansion; quantum mechanical calculations; one particle problem; self adjoint operator.

Classification Codes

Function theory, analysis [A0230]; Functional analytical methods in quantum theory [A0365D].

Treatment

Theoretical or mathematical.

CODEN

IANFAY

Language

English.

ISSN

0367-6765.

Publication Type

Conference Paper.

Update Code

197900.

Accession Number

001295600

Author

Sherstyuk AI. Shkol'nik AM .

Title

Analytic calculation of the bound states of a particle in a screened Coulomb potential.

Source

Izvestiya Akademii Nauk SSSR Seriya Fizicheskaya, vol.41, no.12, 1977, pp.2648-54. USSR.

Country of Publication

USSR.

Translated Source

Bulletin of the Academy of Sciences of the USSR, Physical Series (USA), vol.41, no.12, 1977, pp.166-72. CODEN: BUPSAA. ISSN: 0001-432X.

Conference Information

Proceedings of the All-Union Conference 'Modern Theory of Atoms and Atomic Spectra. Leningrad, USSR. 1-4 Feb. 1977.

Abstract

The application of a short range potential, in various aspects of physical science is briefly outlined. The static screened Coulomb potential is discussed, and the problem of determining the bound state energies in the field of this potential is examined. A possible method of obtaining exact analytic expressions for the energy and the wave functions of an arbitrary state, in theory, to any order of perturbation theory, is described, and a general expression for the energy of an arbitrarily bound state up to seventh order in chi is presented. (21 References).

Abstract Number

A79010633

Subject Headings

Perturbation theory
Plasma theory

Key Phrase Identifiers

bound states; screened Coulomb potential; short range potential; wave functions; perturbation theory; plasma physics; analytic calculation.

Classification Codes

Nuclear Coulomb effects [A2110S]; Plasma properties [A5225].

Treatment

Theoretical or mathematical.

CODEN

IANFAY

Language

English.

ISSN

0367-6765.

Publication Type

Conference Paper.

Update Code

197900.

Accession Number

001354345

Author

Sherstyuk AI. Yakovleva NS .

Title

Possibility of excluding the continuous spectrum when calculating the electronic states of the hydrogen molecular ion. IV. Raman scattering.

Source

Optika i Spektroskopiya, vol.45, no.1, July 1978, pp.42-8. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.45, no.1, July 1978, pp.23-6. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

For pt.III see ibid., vol.43, p.499 (1977). The components of the tensor for Rayleigh and Raman scattering, including several of the first overtones, have been computed for a number of the lowest vibrational levels of the H/sub 2//sup +/ ion at different frequencies of the incident radiation. Corrections for anharmonicity have been taken into account in first-order perturbation theory. (15 References).

Abstract Number

A79050027

Subject Headings

Hydrogen ions
Rayleigh scattering

Non-Thesaurus Subject Headings

Raman spectra of diatomic inorganic molecules

Key Phrase Identifiers

continuous spectrum; electronic states; Raman scattering; lowest vibrational levels; H/sub 2//sup +/ ion; anharmonicity; Rayleigh scattering.

Classification Codes

Raman and Rayleigh molecular spectra [A3320F].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

197900.

Accession Number

001449700

Author

Gruzdev PF. Sherstyuk AI .

Title

Relativistic generalization of the effective orbital quantum number method.

Source

Optika i Spektroskopiya, vol.46, no.4, April 1979, pp.625-30. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.46, no.4, April 1979, pp.353-5. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

Relativistic generalization of the effective orbital quantum number method is given. The method is illustrated by the calculation of oscillator strengths for the lines of the 3, 4p/sub 3/2,1/2/-3, 4d/sub 5/2,3/2/ transitions in the spectra of the atom and ions of the sodium isoelectronic sequence Na I-Mo XXXII. The results of the calculation are compared with the data available in the literature. (13 References).

Abstract Number

A80009521

Subject Headings

Isoelectronic series
Oscillator strengths
Relativistic corrections
Sodium

Key Phrase Identifiers

effective orbital quantum number method; oscillator strengths; spectra; atom; ions; Na isoelectronic series; relativistic generalisation.

Classification Codes

Radiative and relativistic effects (atoms and molecules) [A3130J]; Atomic oscillator strengths, transition moments [A3270C].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

198000.

Accession Number

001690450

Author

Gruzdev PF. Sherstyuk AI .

Title

Green's function for the Dirac equation with a nonlocal potential model.

Source

Optika i Spektroskopiya, vol.49, no.2, Aug. 1980, pp.216-20. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.49, no.2, Aug. 1980, pp.116-18. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The authors have obtained the Green's function for the Dirac equation with a nonlocal potential model. (11 References).

Abstract Number

A81055395

Subject Headings

Dirac equation
Green's function methods
Oscillator strengths

Key Phrase Identifiers

Dirac equation; Green's function; nonlocal potential model.

Classification Codes

Atomic oscillator strengths, transition moments [A3270C].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

198100.

Accession Number

001716633

Author

Sherstyuk AI. Yakovleva NS .

Title

Use of two-centre functions of purely discrete spectrum in adiabatic representation of three-body problem.

Source

Zhurnal Vychislitel'Noi Matematiki i Matematicheskoi Fiziki, vol.21, no.1, Jan. 1981, pp.113-26. USSR.

Country of Publication

USSR.

Translated Source

U.S.S.R. Computational Mathematics and Mathematical Physics (UK), CODEN: CMMPA9. ISSN: 0041-5553.

Abstract

A modification of the adiabatic representation in the three-body problem with Coulomb interaction is proposed, based on the use of the break-down of the three-particle wave function of the bound state into a full set of Sturn two-centre basic functions of the discrete spectrum. The advantages to be gained from the possibility of separating an edge problem in spheroidal coordinates into two independent one-dimensional Sturm-Liouville problems are discussed. The different possibilities offered by the selection of a random energy parameter are investigated. (14 References).

Abstract Number

A81071508

Subject Headings

Many-body problems
Potential scattering
Wave functions

Key Phrase Identifiers

two-centre functions; purely discrete spectrum; adiabatic representation; three-body problem; three-particle wave function; Sturm-Liouville problems.

Classification Codes

Nonrelativistic scattering in quantum theory [A0365N].

Treatment

Theoretical or mathematical.

CODEN

ZVMFAN

Language

Russian.

ISSN

0044-4669.

Publication Type

Journal Paper.

Update Code

198100.

Accession Number

001842405

Author

Yakovleva NS. Sherstyuk AI .

Title

Calculation of parameters of H/sub 2//sup +/ ion interaction with external fields.

Source

Optika i Spektroskopiya, vol.50, no.5, May 1981, pp.823-5. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.50, no.5, May 1981, pp.451-2. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The problem of the molecular hydrogen ion in the adiabatic approximation, the so-called problem of two Coulomb centers with charges Z/sub 1/=Z/sub 2/=1, is a test problem in the theory for diatomic molecules. Therefore, the most accurate calculations possible of the parameters of the H/sub 2//sup +/ ion interaction with external fields occupies a fundamental position from the point of view of testing various approximation methods for the calculations. The authors use the example of calculating various types of parameters for the interaction of the H/sub 2//sup +/ ion with external fields to demonstrate a fundamentally new method. This method is based upon the expansion of the two-center Green's function into a complete set of functions psi /sub n/ that are eigenfunctions of the operator S which arises in connection with problems dealing with two Coulomb centers. (2 References).

Abstract Number

A82044125

Subject Headings

Hydrogen ions
Intermolecular mechanics

Key Phrase Identifiers

S-operator; parameters; H/sub 2//sup +/ ion interaction; external fields; adiabatic approximation; Coulomb centers; diatomic molecules; two-center Green's function; eigenfunctions.

Classification Codes

Other topics in atomic and molecular collision processes and interactions [A3490].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

198200.

Accession Number

001943880

Author

Rebane VN. Rebane TK. Sherstyuk AI .

Title

Possibility of observing the relaxation of higher polarization moments in electric-quadrupole radiation.

Source

Optika i Spektroskopiya, vol.51, no.5, Nov. 1981, pp.753-5. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.51, no.5, Nov. 1981, pp.418-9. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

Shows that the study of the polarization characteristics of electric-quadrupole radiation will furnish valuable information on the magnitudes of higher polarization moments with kappa =3 and 4 and on the relaxation moments which remain hidden during the observation of dipole radiation. (6 References).

Abstract Number

A82108733

Subject Headings

Molecular moments

Non-Thesaurus Subject Headings

atomic electric moment

Key Phrase Identifiers

higher polarisation moment relaxation; electric-quadrupole radiation; polarization characteristics; relaxation moments; dipole radiation.

Classification Codes

Atomic electric and magnetic moments, polarizability [A3510D]; Molecular electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility [A3520M].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

Publication Type

Journal Paper.

Update Code

198200.

Accession Number

002009622

Author

Gruzdev PF. Sherstyuk AI .

Title

Relativistic Green's functions for atomic and molecular systems.

Source

Izvestiya Akademii Nauk SSSR Seriya Fizicheskaya, vol.45, no.12, 1981, pp.2328-30. USSR.

Country of Publication

USSR.

Translated Source

Bulletin of the Academy of Sciences of the USSR, Physical Series (USA), vol.45, no.12, 1981, pp.74-6. CODEN: BUPSAA. ISSN: 0001-432X.

Conference Information

Proceedings of the IV All-Union Conference on the Theory of Atoms and Atomic Spectra. Voronezh, USSR. 1-4 June 1980.

Abstract

The construction of the Green function for Dirac equations has been established for a wide class of one-electron potentials encountered in the theory of atoms and molecules; this has been done in the form of a spectral expansion with respect to the complete system of eigenfunctions for the generalized Dirac problem in terms of eigenvalues with a purely discrete spectrum. (3 References).

Abstract Number

A83031896

Subject Headings

Eigenvalues and eigenfunctions
Green's function methods
Relativistic corrections

Key Phrase Identifiers

relativistic Green's functions; molecular systems; Dirac equations; one-electron potentials; spectral expansion; eigenfunctions; generalized Dirac problem; eigenvalues; purely discrete spectrum.

Classification Codes

General mathematical and computational developments for atoms and molecules [A3115]; Radiative and relativistic effects (atoms and molecules) [A3130J].

Treatment

Theoretical or mathematical.

CODEN

IANFAY

Language

English.

ISSN

0367-6765.

Publication Type

Conference Paper.

Update Code

198300.

Accession Number

002056918

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

Calculation of the polarizability of the sodium atom from the Sturm virtual orbitals of the self-consistent-field method.

Source

Optika i Spektroskopiya, vol.53, no.1, July 1982, pp.3-5. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.53, no.1, July 1982, pp.1-2. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

A method for constructing a complete system of basis functions of a purely discrete spectrum was proposed previously (see Opt. Spektrosk., vol.42, p.1198, 1977, Opt. Spectrosc., vol.42, p.690, 1977) for the problem of the perturbation of the stationary states of atoms described in the Hartree-Fock approximation. The present authors report the first numerical implementation of this method. An algorithm has been developed and a program written for solving the system of integro-differential equations of the Hartree-Fock method to find the Hartree-Fock eigenvalues and eigenfunctions and also to determine the eigenvalues and virtual orbitals of the Sturm-Liouville problem. For the particular case of the sodium atom, the possibilities for obtaining purely discrete virtual orbitals is demonstrated. (9 References).

Abstract Number

A83060583

Subject Headings

HF calculations
SCF calculations
Sodium

Non-Thesaurus Subject Headings

atomic orbitals calculations
atomic polarisability

Key Phrase Identifiers

Na atom polarisability; integro differential equations; Hartree Fock eigenfunctions; Sturm virtual orbitals; self-consistent-field method; numerical implementation; Hartree-Fock method; Hartree-Fock eigenvalues; Sturm-Liouville problem; purely discrete virtual orbitals.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/82/070001-02$0250.

Publication Type

Journal Paper.

Update Code

198300.

Accession Number

002260629

Author

Sherstyuk AI .

Institution

S.I. Vavilov State Optical Inst., Leningrad, USSR.

Title

Sturm expansions in many-fermion problems.

Source

Teoreticheskaya i Matematicheskaya Fizika, vol.56, no.2, Aug. 1983, pp.272-87. USSR.

Country of Publication

USSR.

Translated Source

Theoretical and Mathematical Physics (USA), vol.56, no.2, Aug. 1983, pp.813-23. CODEN: TMPHAH. ISSN: 0040-5779.

Abstract

A generalization of the method of Sturm expansions is the basis of a systematic approach proposed for the construction of a complete system of intermediate states in the perturbation problem for stationary states of many-fermion systems. A time-independent expansion of the Green's function is constructed with respect to a complete set of antisymmetric functions, which include quasiparticle excitations of Sturm type. It is shown that in the case of single-particle perturbations one can completely avoid integration over continuum states, and in the case of perturbations that contain two-body interactions the multiplicity of the integrals can be significantly reduced. A diagram technique is developed for calculating the terms of the perturbation theory expansion. (15 References).

Abstract Number

A84063659

Subject Headings

Fermion systems
Green's function methods
Many-body problems
Perturbation theory

Key Phrase Identifiers

many-fermion problems; Sturm expansions; intermediate states; perturbation problem; stationary states; Green's function; two-body interactions.

Classification Codes

Function theory, analysis [A0230]; Fermion systems and electron gas (quantum statistical mechanics) [A0530F].

Treatment

Theoretical or mathematical.

CODEN

TMFZAL

Language

English.

ISSN

0564-6162.

U.S. Copyright Clearance Center Code

0040-5779/83/5602-0813$08.50.

Publication Type

Journal Paper.

Update Code

198400.

Accession Number

002281395

Author

Sherstyuk AI .

Institution

S.I. Vavilov State Optics Inst., USSR.

Title

Sturm spectral representations of Green's functions in the theory of many-fermion systems.

Source

Zhurnal Eksperimental'Noi i Teoreticheskoi Fiziki, Pis'Ma V Redaktsiyu, vol.38, no.11, 10 Dec. 1983, pp.550-3. USSR.

Country of Publication

USSR.

Translated Source

JETP Letters (USA), vol.38, no.11, 10 Dec. 1983, pp.666-8. CODEN: JTPLA2. ISSN: 0021-3640.

Abstract

Spectral representations of one- and two-particle Green's functions are proposed. These representations do not involve an integration over intermediate states of the continuous spectrum. (4 References).

Abstract Number

A84078235

Subject Headings

Fermion systems
Green's function methods

Key Phrase Identifiers

Sturm spectral representation; Green's functions; many-fermion systems.

Classification Codes

Function theory, analysis [A0230]; Fermion systems and electron gas (quantum statistical mechanics) [A0530F].

Treatment

Theoretical or mathematical.

CODEN

PZETAB

Language

English.

ISSN

0370-274X.

U.S. Copyright Clearance Center Code

0021-3640/83/230666-03$01.00.

Publication Type

Journal Paper.

Update Code

198400.

Accession Number

002344490

Author

Sherstyuk AI. Yakushina IN .

Title

Asymptotic expansion of eigenfunctions of discrete spectra in the problem of two Coulomb centres.

Source

Zhurnal Vychislitel'Noi Matematiki i Matematicheskoi Fiziki, vol.24, no.8, 1984, pp.1267-71. USSR.

Country of Publication

USSR.

Translated Source

U.S.S.R. Computational Mathematics and Mathematical Physics (UK), CODEN: CMMPA9. ISSN: 0041-5553.

Abstract

The authors use a standard equation to investigate the asymptotic expansion of eigenvalues and eigenfunctions arising in the problem of finding the base functions of discrete spectra employed in the calculation of the energy of the combined states in a three body system interacting according to Coulomb's law. (9 References).

Abstract Number

A84110933

Subject Headings

Eigenvalues and eigenfunctions
Quantum theory

Key Phrase Identifiers

eigenfunctions; discrete spectra; Coulomb centres; asymptotic expansion; eigenvalues; base functions; combined states; three body system.

Classification Codes

Solutions of wave equations: bound state in quantum theory [A0365G].

Treatment

Theoretical or mathematical.

CODEN

ZVMFAN

Language

Russian.

ISSN

0044-4669.

Publication Type

Journal Paper.

Update Code

198400.

Accession Number

002430389

Author

Sergeev AV. Sherstyuk AI .

Institution

S.I. Vavilov State Opt. Inst., USSR.

Title

Higher-order perturbation theory for the bound states of the Dirac equation with Yukawa-type potential.

Source

Yadernaya Fizika, vol.39, no.5, May 1984, pp.1158-64. USSR.

Country of Publication

USSR.

Translated Source

Soviet Journal of Nuclear Physics (USA), vol.39, no.5, May 1984, pp.731-4. CODEN: SJNCAS. ISSN: 0038-5506.

Abstract

The method of calculating higher orders of perturbation theory based on perturbation of the Fock operator with a purely discrete spectrum is generalized to the case of the Dirac equation with a potential of the Yukawa type. Corrections to any order of perturbation theory in the energy of an arbitrary bound state are given as finite polynomials which are determined through recurrence relations derived from the dynamical symmetry of the unperturbed problem. The authors propose a modified Pade approximant method which can be used to transform a divergent perturbation series into a rapidly convergent sequence for all bound and quasistationary states of the system. (19 References).

Abstract Number

A85046755

Subject Headings

Dirac equation
Meson field theory
Nuclear forces

Key Phrase Identifiers

nuclear forces; meson field theory; perturbation theory; bound states; Dirac equation; Yukawa-type potential; Fock operator; discrete spectrum; finite polynomials; recurrence relations; Pade approximant method.

Classification Codes

Relativistic wave equations and field theories [A1110Q]; Nuclear forces [A2130].

Treatment

Theoretical or mathematical.

CODEN

IDFZA7

Language

English.

ISSN

0044-0027.

U.S. Copyright Clearance Center Code

0038-5506/84/050731-04$03.80.

Publication Type

Journal Paper.

Update Code

198500.

Accession Number

002515788

Author

Soloveva GS. Gruzdev PF. Sherstyuk AI .

Title

Static polarizabilities of atoms and ions of the lithium, sodium, and potassium isoelectronic series and of neon and argon atoms calculated via SCF Sturm expansion.

Source

Optika i Spektroskopiya, vol.57, no.5, Nov. 1984, pp.776-9. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.57, no.5, Nov. 1984, pp.473-4. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

A calculation of static polarizabilities of the ground valence states of atoms and ions for the isoelectronic series of lithium Li I-Ni XXVI, sodium Na I-Ni XVII, and potassium K I-Ni X has been carried out in second-order perturbation theory on the basis of Sturm virtual orbitals of the self-consistent Hartree-Fock field; also the polarizabilities of separate shells of neon and argon atoms were calculated. (14 References).

Abstract Number

A85099809

Subject Headings

Argon
HF calculations
Isoelectronic series
Neon
Perturbation theory
SCF calculations

Non-Thesaurus Subject Headings

atomic polarisability

Key Phrase Identifiers

LiI like ions; Ar; NaI like ions; Ne; KI like ions; atoms; SCF Sturm expansion; static polarizabilities; ground valence states; isoelectronic series; second-order perturbation theory; Sturm virtual orbitals; self-consistent Hartree-Fock field.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic fine- and hyperfine-structure constants [A3510F].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/84/110473-02$05.00.

Publication Type

Journal Paper.

Update Code

198500.

Accession Number

002584250

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

Construction of a complete system of basis functions in terms of Sturm virtual orbitals of the self-consistent field method.

Source

Optika i Spektroskopiya, vol.58, no.2, Feb. 1985, pp.246-51. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.58, no.2, Feb. 1985, pp.148-51. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

Various possibilities of generalizing the method of Sturm expansions of the Hartree Fock self-consistent field are considered using perturbation theory. The existence of several different representations of the single-electron Green's function of the self-consistent field method is shown. The formalism developed is used to calculate the static polarization of the ground 3s valence state of the sodium atom. (10 References).

Abstract Number

A86014436

Subject Headings

HF calculations
SCF calculations
Sodium

Non-Thesaurus Subject Headings

atomic polarisability
molecular orbitals calculations

Key Phrase Identifiers

Na; basis functions; Sturm virtual orbitals; self-consistent field method; Hartree Fock self-consistent field; perturbation theory; single-electron Green's function; static polarization; ground 3 s valence state.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/85/020148-04$05.00.

Publication Type

Journal Paper.

Update Code

198600.

Accession Number

002725729

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

Calculation of the dynamic polarizability of the ground valence state of the atom and ions of the isoelectronic series of sodium, Na I-Ni XVIII.

Source

Optika i Spektroskopiya, vol.59, no.3, Sept. 1985, pp.495-500. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.59, no.3, Sept. 1985, pp.299-303. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The calculation of dynamic polarizability alpha ( omega ) has been done in the unbound variant of second-order perturbation theory over a wide range of frequencies omega for the ground valence state 3s of the atom and ions of the isoelectronic series of sodium, Na I-Ni XVIII: For the sodium atom and certain ions, the calculation of the quantities alpha ( omega ) has been done in two variants-the Sturm and the Schrodinger variants. the main tabular data of alpha ( omega ) numbers for the atom and ions of Na I-Ni XVIII has been obtained in the Schrodinger variant. (7 References).

Abstract Number

A86099022

Subject Headings

Isoelectronic series
Sodium

Non-Thesaurus Subject Headings

atomic polarisability

Key Phrase Identifiers

Na I to Ni XVIII; Sturm variants; dynamic polarizability; ground valence state; atom; ions; isoelectronic series; second-order perturbation theory; Schrodinger variants.

Classification Codes

Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/85/090299-05$05.00.

Publication Type

Journal Paper.

Update Code

198600.

Accession Number

002979285

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

A method of Sturm expansions of a self-congruent Hartree-Fock field and its use in calculating the static and dynamic polarizability of atoms and ions.

Source

Izvestiya Akademii Nauk SSSR Seriya Fizicheskaya, vol.50, no.7, 1986, pp.1356-60. USSR.

Country of Publication

USSR.

Translated Source

Bulletin of the Academy of Sciences of the USSR, Physical Series (USA), vol.50, no.7, 1986, pp.109-13. CODEN: BUPSAA. ISSN: 0001-432X.

Conference Information

Ninth All-Union Conference on the Theory of Atoms and Atomic Spectra. Uzhgorod, Ukrainian SSR, USSR. Sept. 1985.

Abstract

Following the work of A.I. Sherstyuk et al. (1977) the authors use virtual Sturm orbitals to build the full system of based functions of a self-congruent Hartree-Fock field. This allows a better calculation, through the perturbation theory, of the interaction parameters between an atom or ion and an external electric or magnetic field. (21 References).

Abstract Number

A87122332

Subject Headings

HF calculations
Perturbation theory

Non-Thesaurus Subject Headings

atomic polarisability

Key Phrase Identifiers

external electric field; static polarizability; HF calculations; Sturm expansions; dynamic polarizability; virtual Sturm orbitals; based functions; self-congruent Hartree-Fock field; perturbation theory; interaction parameters; atom; ion; magnetic field.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

CODEN

IANFAY

Language

English.

ISSN

0367-6765.

U.S. Copyright Clearance Center Code

0001-432X/86/$20.00.

Publication Type

Conference Paper.

Update Code

198700.

Accession Number

003313608

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

Calculation of neon and argon static polarizabilities by the method of Sturm expansions of the Hartree-Fock self-consistent field.

Source

Optika i Spektroskopiya, vol.63, no.6, Dec. 1987, pp.1394-7. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.63, no.6, Dec. 1987, pp.829-30. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

Calculates values of the static polarizability by the Sturm expansion method based on virtual orbitals of the Hartree-Fock self-consistent field. The calculation of the polarizability of neon and argon consisted of two steps. Initially the ordinary system of equations of the HF self-consistent field was solved. Further, using the wave functions P(nl; r) defined in the first step and taking into account the selection rules for calculation of the dipole polarizability of Ne and Ar, equations of the Sturm type are constructed. (7 References).

Abstract Number

A89028314

Subject Headings

Argon
HF calculations
Neon
SCF calculations

Non-Thesaurus Subject Headings

atomic polarisability

Key Phrase Identifiers

static polarizabilities; Sturm expansions; Hartree-Fock self-consistent field; virtual orbitals; wave functions; selection rules; dipole polarizability; Ne; Ar.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

Chemicals

Ne/el; Ar/el.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/87/120829-02$05.00.

Publication Type

Journal Paper.

Update Code

198900.

Accession Number

003378802

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Title

Calculation of the dipole polarizability of the ground state of neon and argon atoms by the method of random phases with exchange, based on Sturm virtual orbitals of a self-consistent Hartree-Fock field.

Source

Optika i Spektroskopiya, vol.64, no.5, May 1988, pp.976-82. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.64, no.5, May 1988, pp.581-4. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

A method has been developed for using Sturm-type Hartree-Fock functions to study the reaction of a many-electron atom with an external field, account being taken of correlations of electrons in the random phase approximation with exchange. (21 References).

Abstract Number

A89064620

Subject Headings

Argon
HF calculations
Neon

Non-Thesaurus Subject Headings

atomic electric moment
atomic polarisability

Key Phrase Identifiers

electron correlations; dipole polarizability; ground state; random phases; exchange; Sturm virtual orbitals; self-consistent Hartree-Fock field; Sturm-type Hartree-Fock functions; many-electron atom; external field; random phase approximation; Ne; Ar.

Classification Codes

Specific calculations and results for atoms and molecules [A3120]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

Chemicals

Ne/el; Ar/el.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/88/050581-04$05.00.

Publication Type

Journal Paper.

Update Code

198900.

Accession Number

003381135

Author

Sherstyuk AI. Yur'ev MS. Yakovleva NS .

Title

Application of a continuous analogue of Newton's method for solving equations of a non-independent gas discharge.

Source

Zhurnal Vychislitel'Noi Matematiki i Matematicheskoi Fiziki, vol.29, no.2, 1989, pp.312-14. USSR.

Country of Publication

USSR.

Translated Source

U.S.S.R. Computational Mathematics and Mathematical Physics (UK), CODEN: CMMPA9. ISSN: 0041-5553.

Abstract

The spatial structure of an non-independent discharge for the whole of a discharge gap is examined without artificially fixing the boundaries of the pre-electrode layers. The method is described and results of a numerical solution of the problem are presented. Results are compared with those calculated by other authors. (3 References).

Abstract Number

A89065669

Subject Headings

Discharges (electric)

Key Phrase Identifiers

nonindependent gas discharge; continuous analogue; Newton's method; spatial structure; discharge gap; pre-electrode layers; numerical solution.

Classification Codes

Electric discharges [A5280].

Treatment

Theoretical or mathematical.

CODEN

ZVMFAN

Language

Russian.

ISSN

0044-4669.

Publication Type

Journal Paper.

Update Code

198900.

Accession Number

003694846

Author

Firsova NE. Sherstyuk AI .

Title

Some properties of the generalized spectral problems associated with the Schrodinger equation.

Source

Teoreticheskaya i Matematicheskaya Fizika, vol.81, no.1, Oct. 1989, pp.59-68. USSR.

Country of Publication

USSR.

Translated Source

Theoretical and Mathematical Physics (USA), vol.81, no.1, Oct. 1989, pp.1053-60. CODEN: TMPHAH. ISSN: 0040-5779.

Abstract

The manner in which the spectrum of generalized eigenvalue problems associated with a single-particle Schrodinger equation that depends on the form of the weight operator and the value of the energy parameter is investigated. Under fairly general conditions, the corresponding systems of eigenvalues realize diagonal representations of the Green's function and can be used to construct spectral expansions that are more convenient from the point of view of the nature of the spectrum. (9 References).

Abstract Number

A90108449

Subject Headings

Green's function methods
Perturbation theory
Schrodinger equation

Key Phrase Identifiers

generalized spectral problems; single-particle Schrodinger equation; weight operator; energy parameter; diagonal representations; Green's function; spectral expansions.

Classification Codes

Solutions of wave equations: bound state in quantum theory [A0365G]; Function theory, analysis [A0230].

Treatment

Theoretical or mathematical.

CODEN

TMFZAL

Language

English.

ISSN

0564-6162.

U.S. Copyright Clearance Center Code

0040-5779/89/8101-1053$12.50.

Publication Type

Journal Paper.

Update Code

199000.

Accession Number

003905162

Author

Afanaseva NV. Sherstyuk AI .

Title

Study of alkali-atom spectra by the model-potential method.

Source

Optika i Spektroskopiya, vol.68, no.6, June 1990, pp.1225-31. USSR.

Country of Publication

USSR.

Translated Source

Optics and Spectroscopy (USA), vol.68, no.6, June 1990, pp.717-21. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The model potential with a linearly varying core charge is used for studying quantum defects of the Rydberg series of alkali atoms. An increase or decrease of quantum defects with a variation in the energy of the excited electron is explained by the formation characteristics of the supplementary potential well, formed by the core charge at distances R

Abstract Number

A91078917

Subject Headings

Alkali metals

Non-Thesaurus Subject Headings

atomic excited states
atomic spectra

Key Phrase Identifiers

alkali-atom spectra; model-potential method; linearly varying core charge; quantum defects; Rydberg series; quantum defects; excited electron; formation characteristics; supplementary potential well.

Classification Codes

Atomic spectra grouped by wavelength ranges [A3220]; Excited states of atoms and molecules [A3150].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/90/060717-05$05.00.

Publication Type

Journal Paper.

Update Code

199100.

Accession Number

003935370

Author

Gruzdev PF. Solov'eva GS. Sherstyuk AI .

Institution

Gov. Opt. Inst., Moscow, USSR.

Title

Calculation of the coupling constants of many-electron atoms with external fields using expansions in a discrete basis of Sturmian-type virtual orbitals.

Source

Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, vol.33, no.8, Aug. 1990, pp.73-85. USSR.

Country of Publication

USSR.

Translated Source

Soviet Physics Journal (USA), vol.33, no.8, Aug. 1990, pp.685-95. CODEN: SOPJAQ. ISSN: 0038-5697.

Abstract

Based on a generalization of the method of Sturmian expansions to the case of many-electron systems, a fundamentally new approach was developed for the construction of a complete set of intermediate states in many-body perturbation theory thereby avoiding integration over states of the continuous spectrum. A complete system of eigenfunctions of the generalized eigenvalue problem for the one-electron Hartree-Fock equation with a factor before the energy operator and fixed values of the Lagrange multipliers is used as a basis of single-particle virtual orbitals for an initial approximation to the eigenfunctions of the Hartree-Fock self-consistent field method. In the case of bound states, the spectrum of the effective operator is purely discrete, thus permitting one to completely eliminate integration over continuum virtual orbitals in applying methods of many-body perturbation theory to atomic and molecular calculations for a number of cases. The possibilities of the developed approach are illustrated in application to the investigation of the interaction of many-electron atoms with external fields. (26 References).

Abstract Number

A91096648

Subject Headings

Atomic structure
Eigenvalues and eigenfunctions
HF calculations
Many-body problems
Perturbation theory
SCF calculations

Key Phrase Identifiers

discrete spectrum; coupling constants; many-electron atoms; external fields; discrete basis; Sturmian-type virtual orbitals; Sturmian expansions; intermediate states; many-body perturbation theory; eigenfunctions; generalized eigenvalue problem; one-electron Hartree-Fock equation; energy operator; Lagrange multipliers; single-particle virtual orbitals; self-consistent field method.

Classification Codes

General mathematical and computational developments for atoms and molecules [A3115]; Specific calculations and results for atoms and molecules [A3120].

Treatment

Theoretical or mathematical.

CODEN

IVUFAC

Language

English.

ISSN

0021-3411.

U.S. Copyright Clearance Center Code

0038-5697/90/3308-0685$12.50.

Publication Type

Journal Paper.

Update Code

199100.

Accession Number

004267943

Author

Gruzdev PF. Soloveva GS. Sherstyuk AI .

Institution

S.I. Vavilov State Opt. Inst., Leningrad, Russia.

Title

Polarizability of excited states of sodium and potassium atoms.

Source

Optika i Spektroskopiya, vol.71, no.6, Dec. 1991, pp.888-94. Russia.

Country of Publication

Russia.

Translated Source

Optics and Spectroscopy (USA), vol.71, no.6, Dec. 1991, pp.513-16. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

The scalar and tensor polarizabilities of a large number of nl states are calculated in the Coulomb approximation on the basis of previously obtained oscillator strengths of the transitions of a valence electron (l=0,1,. . .6). For states with l=0,1,2, satisfactory agreement with existing experimental and theoretical data is obtained. It is shown that the polarizabilities of states with l>or=3 are described quite well by exact equations obtained for the hydrogen atom. (12 References).

Abstract Number

A9223-3150-009

Subject Headings

Oscillator strengths
Potassium
Sodium

Non-Thesaurus Subject Headings

atomic excited states
atomic polarisability

Key Phrase Identifiers

scalar polarisabilities; excited states; tensor polarizabilities; nl states; Coulomb approximation; oscillator strengths; valence electron; Na; K.

Classification Codes

Excited states of atoms and molecules [A3150]; Atomic oscillator strengths, transition moments [A3270C]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

Chemicals

Na/el; K/el.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/91/120513-04$05.00.

Publication Type

Journal Paper.

Update Code

199200.

Accession Number

004601619

Author

Volkova GA. Gerasimov GN. Dubrovin AN. Krylov BE. Loginov AV. Tveritinov MP. Sherstyuk AI. Shishatskaya IP. Yakovlev SA .

Institution

S.I. Vavilov State Opt. Inst., St. Petersburg, Russia.

Title

Fundamental and applied studies of the spectra of atoms and simple molecules.

Source

Optiko-Mekhanicheskaya Promyshlennost, vol.60, no.11, Nov. 1993, pp.6-16. Russia.

Country of Publication

Russia.

Translated Source

Soviet Journal of Optical Technology (USA), vol.60, no.11, Nov. 1993, pp.745-53. CODEN: SJOTBH. ISSN: 0038-5514.

Abstract

This paper presents the principal results in the area of fundamental and applied spectroscopy of atoms and diatomic molecules, achieved at the State Optical Institute during the past twenty-five years. (70 References).

Abstract Number

A9406-3220-004

Subject Headings

Spectroscopy

Non-Thesaurus Subject Headings

atomic spectra
molecular spectra

Key Phrase Identifiers

atomic spectra; simple molecules; molecular spectra; applied spectroscopy; diatomic molecules; State Optical Institute.

Classification Codes

Atomic spectra grouped by wavelength ranges [A3220]; Molecular spectra grouped by wavelength ranges [A3320]; Optical spectroscopy and spectrometers [A0765]; Calculation of molecular spectra [A3310].

Treatment

Theoretical or mathematical. Experimental.

CODEN

OPMPAQ

Language

English.

ISSN

0030-4042.

U.S. Copyright Clearance Center Code

0038-5514/93/110745-09$10.00.

Publication Type

Journal Paper.

Update Code

199400.

Accession Number

004935105

Author

Sherstyuk AI .

Institution

Vavilov (S.I.) State Opt. Inst., St. Petersburg, Russia.

Title

Expansions in a discrete basis set in a coupled variant of perturbation theory for atomic and molecular systems.

Source

Optika i Spektroskopiya, vol.78, no.3, March 1995, pp.357-9. Russia.

Country of Publication

Russia.

Translated Source

Optics and Spectroscopy (Russia), vol.78, no.3, March 1995, pp.317-19. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

To calculate the response of many-electron systems to an external perturbation, a modification of the coupled variant of perturbation theory was developed using an expansion in a complete set of the Hartree-Fock virtual orbitals of the Sturmian type. The orbitals are associated with the pure discrete spectrum of a generalized eigenvalue problem related to an effective one-particle operator that does not contain the self-action of electrons. (9 References).

Abstract Number

A9510-3115-015

Subject Headings

Atomic structure
Eigenvalues and eigenfunctions
Electron correlations
HF calculations
Molecular electronic states
Orbital calculations
Perturbation theory

Key Phrase Identifiers

discrete basis set; perturbation theory; molecular systems; atomic systems; many-electron systems; external perturbation; Hartree-Fock virtual orbitals; Sturmian type orbitals; discrete spectrum; generalized eigenvalue problem; effective one-particle operator; electron self-action.

Classification Codes

General mathematical and computational developments for atoms and molecules [A3115]; Specific calculations and results for atoms and molecules [A3120]; Electron correlation and CI calculations (atoms and molecules) [A3120T].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/95/7803-0317$10.00.

Publication Type

Journal Paper.

Update Code

199500.

Copyright

Copyright 1995, IEE.

Accession Number

004963803

Author

Sherstyuk AI. Solov'eva GS .

Institution

Vavilov (S.I.) State Opt. Inst., St. Petersburg, Russia.

Title

Inner-shell correlations and Sturm expansions in coupled perturbation calculations of atomic systems.

Source

Optika i Spektroskopiya, vol.78, no.4, April 1995, pp.552-6. Russia.

Country of Publication

Russia.

Translated Source

Optics and Spectroscopy (Russia), vol.78, no.4, April 1995, pp.494-7. CODEN: OPSUA3. ISSN: 0030-400X.

Abstract

It is shown that virtual Hartree-Fock orbitals in Sturm-type expansions can be used to calculate the response of atomic systems to an external field within the framework of the coupled perturbation theory with allowance for correlation effects. The corrected electron-electron interaction in a system with field-distorted orbitals is considered by adding a nonlocal potential to a one-electron Hartree-Fock operator within each group of equivalent electrons. The remaining correlation effects are calculated by solving a system of equations for corrections to the radial functions. The system is solved iteratively, with each subsequent iteration corresponding to a correction of an increasingly higher order in the electron-electron interaction. The explicit expression derived for the polarizability contains one- and two-particle radial integrals of the Sturm functions. (5 References).

Abstract Number

A9513-3120T-003

Subject Headings

Electron correlations
Electron-electron interactions
HF calculations
Integral equations
Perturbation theory
Polarisability

Key Phrase Identifiers

inner-shell correlations; Sturm expansions; coupled perturbation calculations; atomic systems; virtual Hartree-Fock orbitals; external field; coupled perturbation theory; correlation effects; electron-electron interaction; field-distorted orbitals; nonlocal potential; one-electron Hartree-Fock operator; equivalent electrons; radial functions; iteratively; iteration; polarizability; two-particle radial integrals; one-particle radial integrals.

Classification Codes

Electron correlation and CI calculations (atoms and molecules) [A3120T]; Atomic electric and magnetic moments, polarizability [A3510D].

Treatment

Theoretical or mathematical.

CODEN

OSFMA3

Language

English.

ISSN

0030-4034.

U.S. Copyright Clearance Center Code

0030-400X/95/7804-0494$10.00.

Publication Type

Journal Paper.

Update Code

199500.

Copyright

Copyright 1995, IEE.