SUBROUTINE Javib_New(yg,noscil,h,jl,expfac,kin, chi,dchi,ichan,cg,slit,rhoj) USE FileUnits_Module USE nstate_Module USE Narran_Module USE parms_Module USE cherm2_Module USE etachn_Module USE das_Module USE Masses_Module USE opts_Module USE azbzcz_MODULE ! make the jacobi vibrational wavefuncition, chi, and its first ! derivative, dchi, at the delves point yg !----------------------------------------------------------------------- ! written by b.j. archer !----------------------------------------------------------------------- IMPLICIT NONE INTEGER ichan, jl, k, kin, kv, lk, n, noscil REAL(KIND=WP_Kind) cg, chi, dchi, dhx, gamf, sf, yg REAL(KIND=WP_Kind) slit, atheta, factor1, bfaci, rhoj EXTERNAL alagur, dhep, hwave intrinsic sqrt REAL(Kind=WP_Kind) h(100,3), expfac(3), alag(0:100) IF(scheme==2)THEN ! check cg to make sure the functions are computed at the correct vibrational distance IF(ABS(1.0d0-cg)>1.5d-8)THEN WRITE(Out_Unit,*)'cg/=1.0 => yg/=sf',cg STOP 'JaVib_New' ENDIF gamf=2.0d0*eta(ichan)*usys/dscale(ichan) call hwave(h(1,ichan),yg,jl,noscil) ! get the noscil Hylleras functions lk = 2*jl + 2 sf = yg*gamf k=noscil-1 ! get the k associated Laguerre polynomials CALL alagur(lk,k,sf,alag) k=0 chi=0.0d0 dchi=0.0d0 DO kv=1,noscil n=k+jl+1 ! make the first derivative of the nth Hylleras function dhx = n/yg - gamf*0.5d0 IF(k>0)dhx = dhx - (n+jl+1)*alag(k-1)/(yg*alag(k)) dhx = dhx*h(kv,ichan) ! make the derivative of the kv wavefunction dchi = dchi+chnow(kin+kv,jl,ichan)*dhx ! make the kv wavefunction chi = chi+chnow(kin+kv,jl,ichan)*h(kv,ichan) k=k+1 ENDDO chi=chi*expfac(ichan) dchi=dchi*expfac(ichan) ELSEIF(scheme==1)THEN ! make the harmonic oscillator basis for chi and dchi CALL dhep (h(1,ichan),yg,noscil) chi=0.0d0 ! make the kv wavefunction DO kv=1,noscil chi=chi+chnow(kin+kv,jl,ichan)*h(kv,ichan) ENDDO ! make the first derivative of the kv wavefunction dchi=0.0d0 DO kv=2,noscil dchi=dchi+chnow(kin+kv,jl,ichan)*h(kv-1,ichan)*sqrt(2.d0*(kv-1)) ENDDO Atheta=-bz(ichan)/(az(ichan)*slit**3+bz(ichan)*slit) factor1=az(ichan)+bz(ichan)/slit/slit bfaci=sqrt(factor1) dchi=(dchi-chi*yg)*factor1+atheta*chi chi=chi*expfac(ichan)*bfaci dchi=dchi*expfac(ichan)*bfaci ENDIF RETURN ENDSUBROUTINE Javib_New