subroutine CalcOmERI(maxm,ExpY,NormYSq,Om) ! Compute the 0^m for ERIs: (00|00)^m implicit none ! Input variables integer,intent(in) :: maxm double precision,intent(in) :: ExpY,NormYSq ! Local variables integer :: m double precision :: pi,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 = ExpY*NormYSq call CalcBoysF(maxm,t,Fm) ! Compute (00|00)^m do m=0,maxm Om(m) = (2d0/sqrt(pi))*sqrt(ExpY)*Fm(m) end do deallocate(Fm) end subroutine CalcOmERI