FUNCTION QTRAV(TETA,HP,J,JA) * *----------------------------------------------------------------------- * * HERE THE PARTITION FUNCTIONS ACCORDING TO TRAVING ET AL., ABH. HAMB. * STERNW. VIII, 1 (1966) ARE COMPUTED. THE SYMBOLS ARE GIVEN * IN THE COMMENTS AT THE BEGINNING OF SUBROUTINE INJON. * FUNCTION QAS IS CALLED. * * Export version 1988-03-24 ********* Olof Morell *** Uppsala * * DIMENSIONS NECESSARY * A(5),ASDE(KMAX),H(5),QPRIM(KMAX) * KMAX IS THE TOTAL NUMBER OF ELECTRON CONFIGURATIONS. * DIMENSIONS OF ARRAYS IN COMMON /CI3/ ARE COMMENTED ON IN SUBROUTINE * INJON. * *----------------------------------------------------------------------- * DIMENSION ASDE(80),H(5),QPRIM(80) * COMMON/CI3/ ALFA(300),GAMMA(300),G0(45),G2(80),XION(80),XL(80), & JBBEG(45),JCBEG(45),NK(45),NL(80),IFISH COMMON/CI7/ A(5),PFISH,ITP * * STATEMENT FUNCTION FOR 10.** * EXP10(X)=EXP(2.302585*X) C FLJ=J JB=JBBEG(JA) JC1=JCBEG(JA) NKP=NK(JA) QSUM=0. * * WE START THE LOOP OVER DIFFERENT ELECTRON CONFIGURATIONS, 'THE K-LOOP' * DO 5 K=1,NKP JC2=NL(JB)+JC1-1 * * IS TETA=PRECEDING TETA * IF(ITP.GT.0) GOTO 4 PRA=XION(JB)*TETA IF(PRA.LT.12.) GOTO 1 ASDE(JB)=0. GOTO 2 1 ASDE(JB)=G2(JB)*EXP10(-PRA) * 2 QPRIM(JB)=0. IF(NL(JB).LE.0) GOTO 4 DO 3 L=JC1,JC2 PRE=GAMMA(L)*TETA IF(PRE.GT.12.) GOTO 3 QPRIM(JB)=QPRIM(JB)+ALFA(L)*EXP10(-PRE) 3 CONTINUE 4 JC1=JC2+1 QSUM=QPRIM(JB)+ASDE(JB)*QAS(HP,XL(JB),A(J),FLJ,PFISH,IFISH) & +QSUM JB=JB+1 5 CONTINUE * * END OF 'THE K-LOOP' * QTRAV=G0(JA)+QSUM * RETURN END