subroutine give_2h2p(contrib_2h2p) implicit none double precision, intent(out) :: contrib_2h2p(N_states) integer :: i,j,k,l,m integer :: iorb,jorb,korb,lorb double precision :: get_mo_bielec_integral double precision :: direct_int,exchange_int double precision :: numerator,denominator(N_states) contrib_2h2p = 0.d0 do i = 1, n_inact_orb iorb = list_inact(i) do j = 1, n_inact_orb jorb = list_inact(j) do k = 1, n_virt_orb korb = list_virt(k) do l = 1, n_virt_orb lorb = list_virt(l) direct_int = get_mo_bielec_integral(iorb,jorb,korb,lorb ,mo_integrals_map) exchange_int = get_mo_bielec_integral(iorb,jorb,lorb,korb ,mo_integrals_map) numerator = 3.d0 * direct_int*direct_int + exchange_int*exchange_int -2.d0 * exchange_int * direct_int do m = 1, N_states denominator(m) = fock_core_inactive_total_spin_trace(iorb,m) + fock_core_inactive_total_spin_trace(jorb,m) & -fock_virt_total_spin_trace(korb,m) - fock_virt_total_spin_trace(lorb,m) contrib_2h2p(m) += numerator / denominator(m) enddo enddo enddo enddo enddo contrib_2h2p = contrib_2h2p*0.5d0 end