subroutine CCSD_correlation_energy(nC,nO,nV,nR,OOVV,tau,EcCCSD) ! Compute the CCSD 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) :: tau(nO,nO,nV,nV) ! Local variables integer :: i,j,a,b ! Output variables double precision,intent(out) :: EcCCSD EcCCSD = 0d0 do i=nC+1,nO do j=nC+1,nO do a=1,nV-nR do b=1,nV-nR EcCCSD = EcCCSD + OOVV(i,j,a,b)*tau(i,j,a,b) enddo enddo enddo enddo EcCCSD = 0.5d0*EcCCSD end subroutine CCSD_correlation_energy