subroutine form_cF_nc(taus,Foo,Fov,Fvv,cFoo,cFov,cFvv) ! Compute F terms in CCSD implicit none ! Input variables double precision,intent(in) :: taus(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) double precision,intent(in) :: Foo(spin_occ_num,spin_occ_num) double precision,intent(in) :: Fov(spin_occ_num,spin_vir_num) double precision,intent(in) :: Fvv(spin_vir_num,spin_vir_num) ! Local variables integer :: i,j,m,n integer :: a,b,e,f double precision,external :: Kronecker_Delta ! Output variables double precision,intent(out) :: cFoo(spin_occ_num,spin_occ_num) double precision,intent(out) :: cFov(spin_occ_num,spin_vir_num) double precision,intent(out) :: cFvv(spin_vir_num,spin_vir_num) ! Occupied-occupied block do m=1,spin_occ_num do i=1,spin_occ_num cFoo(m,i) = (1d0 - Kronecker_delta(m,i))*Foo(m,i) do e=1,spin_vir_num cFoo(m,i) = cFoo(m,i) + 0.5d0*t1_cc(i,e)*Fov(m,e) end do do e=1,spin_vir_num do n=1,spin_occ_num cFoo(m,i) = cFoo(m,i) + t1_cc(n,e)*OOOV(m,n,i,e) end do end do do e=1,spin_vir_num do n=1,spin_occ_num do f=1,spin_vir_num cFoo(m,i) = cFoo(m,i) + 0.5d0*taus(i,n,e,f)*OOVV(m,n,e,f) end do end do end do end do end do ! Occupied-virtual block cFov(:,:) = Fov(:,:) do m=1,spin_occ_num do e=1,spin_vir_num do n=1,spin_occ_num do f=1,spin_vir_num cFov(m,e) = cFov(m,e) + t1_cc(n,f)*OOVV(m,n,e,f) end do end do end do end do ! Virtual-virtual block do a=1,spin_vir_num do e=1,spin_vir_num cFvv(a,e) = (1d0 - Kronecker_delta(a,e))*Fvv(a,e) do m=1,spin_occ_num cFvv(a,e) = cFvv(a,e) - 0.5d0*t1_cc(m,a)*Fov(m,e) end do do m=1,spin_occ_num do f=1,spin_vir_num cFvv(a,e) = cFvv(a,e) + t1_cc(m,f)*OVVV(m,a,f,e) end do end do do m=1,spin_occ_num do n=1,spin_occ_num do f=1,spin_vir_num cFvv(a,e) = cFvv(a,e) - 0.5d0*taus(m,n,a,f)*OOVV(m,n,e,f) end do end do end do end do end do end subroutine form_cF_nc