program paircoupling IMPLICIT REAL*8 (A-H,O-Z) dimension e(12,9) CHARACTER*80 LINES(12,9) fn3=39.1*7**3 zeta=42.2 zeta=63.3951*2./3. RYD=109732.298 EION=(90883.854*4.+90820.469*2.)/6. Z=1. ALPHAD=5.48 ALPHAQ=0.475 L=3 n=7 EAV=EPOLAR(N,L,RYD,Z,EION,ALPHAD,ALPHAQ) print *,eav c 7f 1.5[1.5] 2 enorm=88645.33 c enorm=eav+zeta/2+12f c 12f=enorm-eav-zeta/2 c f=(enorm-eav-zeta/2)/12 fnorm=(enorm-eav-zeta/2.)/12. do 17 n=4,9 EAV=EPOLAR(N,L,RYD,Z,EION,ALPHAD,ALPHAQ) print *,eav READ(1,1)(LINES(I,N),I=1,12) 1 FORMAT(A80) f=fnorm*(7./n)**3 c J1.5 K4.5 J5 e(1,n)=EAV+zeta/2+5*f c J1.5 K4.5 J4 e(2,n)=EAV+zeta/2+5*f c J1.5 K3.5 J4 e(3,n)=EAV-zeta/4-5*f+sqrt((3./4.*zeta-5*f)**2+75*f**2) c J1.5 K3.5 J3 e(4,n)=EAV-zeta/4-5*f+sqrt((3./4.*zeta-5*f)**2+75*f**2) c J0.5 K3.5 J4 e(5,n)=EAV-zeta/4-5*f-sqrt((3./4.*zeta-5*f)**2+75*f**2) c J0.5 K3.5 J3 e(6,n)=EAV-zeta/4-5*f-sqrt((3./4.*zeta-5*f)**2+75*f**2) c J1.5 K2.5 J3 e(7,n)=EAV-zeta/4-1.5*f+sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J1.5 K2.5 J2 e(8,n)=EAV-zeta/4-1.5*f+sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J0.5 K2.5 J3 e(9,n)=EAV-zeta/4-1.5*f-sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J0.5 K2.5 J2 e(10,n)=EAV-zeta/4-1.5*f-sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J1.5 K1.5 J2 e(11,n)=EAV+zeta/2+12*f c J1.5 K1.5 J1 e(12,n)=EAV+zeta/2+12*f DO 15 I=1,12 c print *,lines(i,n) WRITE(LINES(I,N)(7:20),'(F14.3)')E(I,N) print *,lines(i,n) 15 CONTINUE 17 CONTINUE c L=4 n=6 EAV=EPOLAR(N,L,RYD,Z,EION,ALPHAD,ALPHAQ) print *,eav c 6g 1.5[2.5] 2 enorm=87837.76 c enorm=eav+zeta/2+55f c 55f=enorm-eav-zeta/2 c f=(enorm-eav-zeta/2)/55 fnorm=(enorm-eav-zeta/2.)/55. do 17 n=5,9 EAV=EPOLAR(N,L,RYD,Z,EION,ALPHAD,ALPHAQ) print *,eav READ(1,1)(LINES(I,N),I=1,12) 1 FORMAT(A80) f=fnorm*(6./n)**3 c J1.5 K5.5 J6 e(1,n)=EAV+zeta/2+28*f c J1.5 K5.5 J5 e(2,n)=EAV+zeta/2+28*f c J1.5 K4.5 J5 e(3,n)=EAV-zeta/4-49./2*f+sqrt((3./4.*zeta-49./2*f)**2+2156*f**2) c J1.5 K4.5 J4 e(4,n)=EAV-zeta/4-49./2*f+sqrt((3./4.*zeta-49./2*f)**2+2156*f**2) c J0.5 K4.5 J5 e(5,n)=EAV-zeta/4-49./2*f-sqrt((3./4.*zeta-49./2*f)**2+2156*f**2) c J0.5 K4.5 J4 e(6,n)=EAV-zeta/4-49./2*f-sqrt((3./4.*zeta-49./2*f)**2+2156*f**2) c J1.5 K3.5 J4 e(7,n)=EAV-zeta/4-11*f+sqrt((3./4.*zeta-11*f)**2+4235*f**2) c J1.5 K3.5 J3 e(8,n)=EAV-zeta/4-1.5*f+sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J0.5 K3.5 J4 e(9,n)=EAV-zeta/4-1.5*f-sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J0.5 K3.5 J3 e(10,n)=EAV-zeta/4-1.5*f-sqrt((3./4.*zeta-1.5*f)**2+180*f**2) c J1.5 K2.5 J2 e(11,n)=EAV+zeta/2+55*f c J1.5 K2.5 J1 e(12,n)=EAV+zeta/2+55*f DO 15 I=1,12 c print *,lines(i,n) WRITE(LINES(I,N)(7:20),'(F14.3)')E(I,N) print *,lines(i,n) 15 CONTINUE 17 CONTINUE CALL EXIT END FUNCTION EPOLAR(N,L,RYD,Z,EION,ALPHAD,ALPHAQ) IMPLICIT REAL*8 (A-H,O-Z) EHYD=RYD*Z**2/N**2 ALPHA=7.29735308E-03 X=N EREL=ALPHA**2*RYD*Z**4/N**4*(N/(L+.5)-3./4.) PNL=RYD*(3*N**2-L*(L+1))/(2*N**5*(L-.5)*L*(L+.5)*(L+1)*(L+1.5)) QNL=RYD/PNL*(35*N**2-5*N**2*(6*L*(L+1)-5)+3*(L-1)*L*(L+1)*(L+2))/ 1(8*X**7*(L-1.5)*(L-1)*(L-.5)*L*(L+.5)*(L+1)*(L+1.5)*(L+2)*(L+2.5)) EPOL=ALPHAD*Z**4*PNL*(1.+ALPHAQ/ALPHAD*Z**2*QNL) EPOLAR=EION-EHYD-EREL-EPOL RETURN END