subroutine unrestricted_renormalization_factor_Tmatrix(eta,nBas,nC,nO,nV,nR,nHaa,nHab,nHbb, & nPaa,nPab,nPbb,e,Omega1aa,Omega1ab, & Omega1bb,rho1aa,rho1ab,rho1bb, & Omega2aa,Omega2ab,Omega2bb,rho2aa, & rho2ab,rho2bb,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) :: nHaa,nHab,nHbb integer,intent(in) :: nPaa,nPab,nPbb double precision,intent(in) :: e(nBas,nspin) double precision,intent(in) :: Omega1aa(nPaa),Omega1ab(nPab),Omega1bb(nPbb) double precision,intent(in) :: rho1aa(nBas,nBas,nPaa),rho1ab(nBas,nBas,nPab) double precision,intent(in) :: rho1bb(nBas,nBas,nPbb) double precision,intent(in) :: Omega2aa(nHaa),Omega2ab(nHab),Omega2bb(nHbb) double precision,intent(in) :: rho2aa(nBas,nBas,nHaa),rho2ab(nBas,nBas,nHab) double precision,intent(in) :: rho2bb(nBas,nBas,nHbb) ! Local variables integer :: i,a,p,cd,kl double precision :: eps ! Output variables double precision,intent(out) :: Z(nBas,nspin) !spin up part ! Occupied part of the T-matrix self-energy do p=nC(1)+1,nBas-nR(1) do i=nC(1)+1,nO(1) do cd=1,nPaa eps = e(p,1) + e(i,1) - Omega1aa(cd) Z(p,1) = Z(p,1) - rho1aa(p,i,cd)**2*(eps/(eps**2 + eta**2))**2 enddo enddo do i=nC(1)+1,nO(1) do cd=1,nPab eps = e(p,1) + e(i,1) - Omega1ab(cd) Z(p,1) = Z(p,1) - rho1ab(p,i,cd)**2*(eps/(eps**2 + eta**2))**2 end do end do 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,nHaa eps = e(p,1) + e(a,1) - Omega2aa(kl) Z(p,1) = Z(p,1) - rho2aa(p,a,kl)**2*(eps/(eps**2 + eta**2))**2 enddo enddo do a=nO(2)+1,nBas-nR(2) do kl=1,nHab eps = e(p,1) + e(a,1) - Omega2ab(kl) Z(p,1) = Z(p,1) - rho2ab(p,a,kl)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo !spin down part ! Occupied part of the T-matrix self-energy do p=nC(2)+1,nBas-nR(2) do i=nC(2)+1,nO(2) do cd=1,nPbb eps = e(p,2) + e(i,2) - Omega1bb(cd) Z(p,2) = Z(p,2) - rho1bb(p,i,cd)**2*(eps/(eps**2 + eta**2))**2 enddo enddo do i=nC(1)+1,nO(1) do cd=1,nPab eps = e(p,2) + e(i,2) - Omega1ab(cd) Z(p,2) = Z(p,2) - rho1ab(p,i,cd)**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,nHbb eps = e(p,2) + e(a,2) - Omega2bb(kl) Z(p,2) = Z(p,2) - rho2bb(p,a,kl)**2*(eps/(eps**2 + eta**2))**2 enddo enddo do a=nO(1)+1,nBas-nR(1) do kl=1,nHab eps = e(p,2) + e(a,2) - Omega2ab(kl) Z(p,2) = Z(p,2) - rho2ab(p,a,kl)**2*(eps/(eps**2 + eta**2))**2 enddo enddo enddo end subroutine unrestricted_renormalization_factor_Tmatrix