subroutine unrestricted_renormalization_factor_Tmatrix(ispin,eta,nBas,nC,nO,nV,nR,nH,nP,e,Omega1,rho1,Omega2,rho2,Z) ! Compute renormalization factor of the T-matrix self-energy implicit none include 'parameters.h' ! Input variables double precision,intent(in) :: eta integer,intent(in) :: nBas,nC(nspin),nO(nspin),nV(nspin),nR(nspin) integer,intent(in) :: nH,ispin integer,intent(in) :: nP double precision,intent(in) :: e(nBas,nspin) double precision,intent(in) :: Omega1(nP) double precision,intent(in) :: rho1(nBas,nBas,nP,nspin) double precision,intent(in) :: Omega2(nH) double precision,intent(in) :: rho2(nBas,nBas,nH,nspin) ! Local variables integer :: i,a,p,cd,kl double precision :: eps ! Output variables double precision,intent(out) :: Z(nBas,nspin) ! Occupied part of the T-matrix self-energy if(ispin==1) then do p=nC(1)+1,nBas-nR(1) do i=nC(1)+1,nO(1) do cd=1,nP eps = e(p,1) + e(i,1) - Omega1(cd) Z(p,1) = Z(p,1) - rho1(p,i,cd,1)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo ! Virtual part of the T-matrix self-energy do p=nC(1)+1,nBas-nR(1) do a=nO(1)+1,nBas-nR(1) do kl=1,nH eps = e(p,1) + e(a,1) - Omega2(kl) Z(p,1) = Z(p,1) - rho2(p,a,kl,1)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo end if ! Occupied part of the T-matrix self-energy if(ispin==2) then do p=nC(2)+1,nBas-nR(2) do i=nC(2)+1,nO(2) do cd=1,nP eps = e(p,2) + e(i,2) - Omega1(cd) Z(p,2) = Z(p,2) - rho1(p,i,cd,2)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo ! Virtual part of the T-matrix self-energy do p=nC(2)+1,nBas-nR(2) do a=nO(2)+1,nBas-nR(2) do kl=1,nH eps = e(p,2) + e(a,2) - Omega2(kl) Z(p,2) = Z(p,2) - rho2(p,a,kl,2)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo end if end subroutine unrestricted_renormalization_factor_Tmatrix