subroutine CCD_correlation_energy(nC,nO,nV,nR,OOVV,t2,EcCCD) ! Compute the CCD energy implicit none ! Input variables integer,intent(in) :: nC,nO,nV,nR double precision,intent(in) :: OOVV(nO,nO,nV,nV) double precision,intent(in) :: t2(nO,nO,nV,nV) ! Local variables integer :: i,j,a,b ! Output variables double precision,intent(out) :: EcCCD EcCCD = 0d0 do i=nC+1,nO do j=nC+1,nO do a=1,nV-nR do b=1,nV-nR EcCCD = EcCCD + OOVV(i,j,a,b)*t2(i,j,a,b) enddo enddo enddo enddo EcCCD = 0.25d0*EcCCD end subroutine CCD_correlation_energy