(* Input: nqx - Oscillator quantum number morder - Order of perturbation theory Example of input line: nqx=0;morder=10; *) (* Testing that nqx and morder lie in a valid range *) fails=False; Print["Oscillator quantum number: n = ",nqx,""]; If[!(IntegerQ[nqx]&&nqx>=0), Print["Oscillator quantum number must be a non-negative integer!\n"]; fails=True]; If[!(nqx<10000), Print["Oscillator quantum number is too large!\n"]; fails=True]; Print["Order of perturbation theory: N = ",morder,""]; If[!(IntegerQ[morder]&&morder>0), Print["Order of perturbation theory must be a positive integer!\n"]; fails=True]; If[!(morder<1000), Print["Order of perturbation theory is too large!\n"]; fails=True]; Print[]; If[!fails, (* If input is legitimate *) (* Testing ends *) ncoef=morder+1; Print["Printing PT coefficients for the sextic anharmonic oscillator x^2/2 + g x^6 ...\n"]; energy[0]=nqx+1/2; Print["E[0] = ",energy[0]//InputForm," (Unperturbed harmonic-oscillator energy)"]; mbasisx=nqx+3*morder; kax=nqx; kaxh=Floor[kax/2]; kxmin=0; If[kaxh*2!=kax,kxmin=1]; enx=Table[0,{m,1,morder}]; xn=Table[Null,{kx,kxmin,mbasisx,2},{k,-6,6,2}]; psi=Table[Null,{n,0,morder},{kx,kxmin,mbasisx,2}]; (* Calculating xn[i,(-6,-4,-2,0,2,4,6)]= *) Do[ih=(i-kxmin)/2+1; xn[[ih,1]]=1; xn[[ih,2]]=-9 + 6*i; xn[[ih,3]]=15*(1 - i + i^2); xn[[ih,4]]=5*(3 + 8*i + 6*i^2 + 4*i^3); xn[[ih,5]]=15*(6 + 15*i + 14*i^2 + 6*i^3 + i^4); xn[[ih,6]]=3*(120 + 298*i + 275*i^2 + 120*i^3 + 25*i^4 + 2*i^5); xn[[ih,7]]=720 + 1764*i + 1624*i^2 + 735*i^3 + 175*i^4 + 21*i^5 + i^6, {i,kxmin,mbasisx,2}]; (* Harmonic oscillator wave function (zero order) *) kaxh=(kax-kxmin)/2+1; psi[[1,kaxh]]=1; (* Successive calculation of the expansion coefficients *) kbxmin0=kax; kbxmax0=kax; Do[n9=n-1; (* Calculating of wavefunctions at n-th step *) mdx=Min[n,morder-n]; kbxmin=Max[kxmin,kax-6*mdx]; kbxmax=kax+6*mdx; Do[a=0;kbxh=(kbx-kxmin)/2+1; ncmin=Ceiling[Abs[kbx-kax]/6]; If[ncmin<=n9, a=a+Sum[psi[[nc+1,kbxh]]*enx[[n-nc]],{nc,ncmin,n9}]]; kcxmin=Max[kbxmin0,kbx-6]; kcxmax=Min[kbxmax0,kbx+6]; Do[kcxh=(kcx-kxmin)/2+1; a=a-psi[[n,kcxh]]*xn[[kcxh,(kbx-kcx)/2+4]], {kcx,kcxmin,kcxmax,2}]; If[kbx!=kax, a=a/(kbx-kax)]; psi[[n+1,kbxh]]=a, {kbx,kbxmin,kbxmax,2}]; enx[[n]]=-psi[[n+1,kaxh]]; energy[n]=enx[[n]]/8^n; Print["E[",n,"] = ",energy[n]//InputForm]; psi[[n+1,kaxh]]=0; kbxmin0=kbxmin; kbxmax0=kbxmax,{n,1,morder}]; ]; (* End-If input is legitimate *)