2019-02-07 22:49:12 +01:00
|
|
|
subroutine CalcOm(maxm,ExpPQi,NormPQSq,Om)
|
|
|
|
|
|
|
|
! Comute the 0^m: (00|00)^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)**dm*(1d0/ExpPQi)**(dm+0.5d0)*Fm(m)
|
2019-03-20 13:38:42 +01:00
|
|
|
end do
|
2019-02-07 22:49:12 +01:00
|
|
|
|
|
|
|
deallocate(Fm)
|
|
|
|
|
|
|
|
end subroutine CalcOm
|