PROGRAM EXTRAP99 IMPLICIT REAL*8 (A-H,O-Z) REAL*8 RITZ(99,26),SERIESGF(99),SERIESJ(26) REAL*8 SERIESS(99),SERIESW(99) CHARACTER*4 NAME(26),REF,EEEE CHARACTER*10 ELABJE,ELABJO DATA NAME/'s 3P','s 3P','s 3P','s 1P', 1 'd 3F','d 3F','d 3F','d 1F', 2 'd 3D','d 3D','d 3D','d 1D', 3 'd 3P','d 3P','d 3P','d 1P', 4 'p 3D','p 3D','p 3D','p 1D', 5 'p 3P','p 3P','p 3P','p 1P', 6 'p 3S','p 1S'/ DATA SERIESJ/2.,1.,0.,1., 4.,3.,2.,3., 3.,2.,1.,2., 2.,1.,0.,1., 1 3.,2.,1.,2., 2.,1.,0.,1., 1.,0./ DO 1 N=21,99 C STARK AND VAN DER WAALS STARK IS WILD GUESS C TAKE RADIATIVE AS CONSTANT SERIESS(N)=LOG10((N/20.D0)**4) SERIESW(N)=LOG10((N/20.D0)**1.6) 1 SERIESGF(N)=LOG10((20.D0/N)**3) c 3s 3P2 c 4s 3P2 78148.090 78143.302 -4.788 c 5s 3P2 83791.040 83803.395 12.355 c 6s 3P2 86369.600 86362.518 -7.082 c 7s 3P2 87753.730 87750.626 -3.104 c 8s 3P2 88584.260 88586.925 2.665 c 9s 3P2 89128.926 DO 5 ISERIES=1,26 DO 5 N=3,99 5 READ(1,2)RITZ(N,ISERIES) 2 FORMAT(20X,F12.3) PRINT *,RITZ C1234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890 C 110.4425 -3.710 6.00 0.000 0.0 s2p2 3P 90544.850 1.0 2p18d 1P 5.97 -1.87 -6.19K04 DO 9 LINE=1,9999 READ(2,140)WL,GFLOG,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMAS,GAMMAW,REF 140 FORMAT(F11.4,F7.3,F6.2,F12.3,F5.1,1X,A10,F12.3,F5.1,1X,A10, 1 F6.2,F6.2,F6.2,A4) PRINT 140,WL,GFLOG,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMAS,GAMMAW,REF IF(ELABJE(1:4).NE.'2p20')GO TO 20 DO 8 ISERIES=1,26 IF(ELABJE(5:8).EQ.NAME(ISERIES).AND. 1XJE.EQ.SERIESJ(ISERIES))GO TO 11 8 CONTINUE CALL ABORT 11 DO 15 N=21,99 EJE=RITZ(N,ISERIES) WAVENO=ABS(EJE-EJO) WLVAC=1.D7/WAVENO WL=WLVAC IF(WLVAC.GT.200.)WAVE=WAVE/(1.0000834213D0+ 1 2406030.D0/(1.30D10-WAVENO**2)+15997.D0/(3.89D9-WAVENO**2)) GAMMASN=GAMMAS+SERIESS(N) GAMMAWN=GAMMAW+SERIESW(N) GFLOGN=GFLOG+SERIESGF(N) WRITE(ELABJE,12)N,NAME(ISERIES) 12 FORMAT('2p',I2,A4) REF='EXTR' WRITE(11,140)WL,GFLOGN,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMASN,GAMMAWN,REF 15 WRITE(12,140)WAVENO,GFLOGN,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMASN,GAMMAWN,REF GO TO 9 20 DO 28 ISERIES=1,26 IF(ELABJO(5:8).EQ.NAME(ISERIES).AND. 1 XJO.EQ.SERIESJ(ISERIES))GO TO 31 28 CONTINUE CALL ABORT 31 DO 35 N=21,99 EJO=RITZ(N,ISERIES) WAVENO=ABS(EJE-EJO) WLVAC=1.D7/WAVENO WL=WLVAC IF(WLVAC.GT.200.)WAVE=WAVE/(1.0000834213D0+ 1 2406030.D0/(1.30D10-WAVENO**2)+15997.D0/(3.89D9-WAVENO**2)) GAMMASN=GAMMAS+SERIESS(N) GAMMAWN=GAMMAW+SERIESW(N) GFLOGN=GFLOG+SERIESGF(N) WRITE(ELABJO,12)N,NAME(ISERIES) REF='EXTR' WRITE(11,140)WL,GFLOGN,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMASN,GAMMAWN,REF 35 WRITE(12,140)WAVENO,GFLOGN,CODE,EJE,XJE,ELABJE,EJO,XJO,ELABJO, 1 GAMMAR,GAMMASN,GAMMAWN,REF 9 CONTINUE CALL EXIT END