quack/src/IntPak/CalcOmNuc.f90

41 lines
701 B
Fortran

subroutine CalcOmNuc(maxm,ExpPQi,NormPQSq,Om)
! Compute (0|V|0)^m
implicit none
! Input variables
integer,intent(in) :: maxm
double precision,intent(in) :: ExpPQi,NormPQSq
! Local variables
integer :: m
double precision :: pi,dm,t
double precision,allocatable :: Fm(:)
! Output variables
double precision,intent(inout):: Om (0:maxm)
allocate(Fm(0:maxm))
pi = 4d0*atan(1d0)
! Campute generalized Boys functions
t = NormPQSq/ExpPQi
call CalcBoysF(maxm,t,Fm)
! Compute (00|00)^m
do m=0,maxm
dm =dble(m)
Om(m) = (2d0/sqrt(pi))*(1d0/ExpPQi)**(dm+0.5d0)*Fm(m)
enddo
deallocate(Fm)
end subroutine CalcOmNuc