subroutine form_cF_nc(nO,nV,t1,taus,Foo,Fov,Fvv,OOOV,OOVV,OVVV,cFoo,cFov,cFvv) ! Compute F terms in CCSD implicit none ! Input variables integer,intent(in) :: nO,nV double precision,intent(in) :: t1(nO,nV) double precision,intent(in) :: taus(nO,nO,nV,nV) double precision,intent(in) :: Foo(nO,nO) double precision,intent(in) :: Fov(nO,nV) double precision,intent(in) :: Fvv(nV,nV) double precision,intent(in) :: OOOV(nO,nO,nO,nV) double precision,intent(in) :: OOVV(nO,nO,nV,nV) double precision,intent(in) :: OVVV(nO,nV,nV,nV) ! Local variables integer :: i,j,m,n integer :: a,b,e,f double precision,external :: Kronecker_Delta ! Output variables double precision,intent(out) :: cFoo(nO,nO) double precision,intent(out) :: cFov(nO,nV) double precision,intent(out) :: cFvv(nV,nV) ! Occupied-occupied block do m=1,nO do i=1,nO cFoo(m,i) = (1d0 - Kronecker_delta(m,i))*Foo(m,i) do e=1,nV cFoo(m,i) = cFoo(m,i) + 0.5d0*t1(i,e)*Fov(m,e) end do do e=1,nV do n=1,nO cFoo(m,i) = cFoo(m,i) + t1(n,e)*OOOV(m,n,i,e) end do end do do e=1,nV do n=1,nO do f=1,nV 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,nO do e=1,nV do n=1,nO do f=1,nV cFov(m,e) = cFov(m,e) + t1(n,f)*OOVV(m,n,e,f) end do end do end do end do ! Virtual-virtual block do a=1,nV do e=1,nV cFvv(a,e) = (1d0 - Kronecker_delta(a,e))*Fvv(a,e) do m=1,nO cFvv(a,e) = cFvv(a,e) - 0.5d0*t1(m,a)*Fov(m,e) end do do m=1,nO do f=1,nV cFvv(a,e) = cFvv(a,e) + t1(m,f)*OVVV(m,a,f,e) end do end do do m=1,nO do n=1,nO do f=1,nV 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