subroutine renormalization_factor_Tmatrix_so(eta,nBas,nC,nO,nV,nR,nOO,nVV,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,nO,nV,nR integer,intent(in) :: nOO integer,intent(in) :: nVV double precision,intent(in) :: e(nBas) double precision,intent(in) :: Omega1(nVV) double precision,intent(in) :: rho1(nBas,nBas,nVV) double precision,intent(in) :: Omega2(nOO) double precision,intent(in) :: rho2(nBas,nBas,nOO) ! Local variables integer :: i,j,k,l,a,b,c,d,p,cd,kl double precision :: eps ! Output variables double precision,intent(out) :: Z(nBas) ! Initialize Z(:) = 0d0 !---------------------------------------------- ! T-matrix renormalization factor in the spinorbital basis !---------------------------------------------- ! Occupied part of the T-matrix self-energy do p=nC+1,nBas-nR do i=nC+1,nO do cd=1,nVV eps = e(p) + e(i) - Omega1(cd) Z(p) = Z(p) + (rho1(p,i,cd)/eps)**2 enddo enddo enddo ! Virtual part of the T-matrix self-energy do p=nC+1,nBas-nR do a=nO+1,nBas-nR do kl=1,nOO eps = e(p) + e(a) - Omega2(kl) Z(p) = Z(p) + (rho2(p,a,kl)/eps)**2 enddo enddo enddo ! Compute renormalization factor from derivative of SigT Z(:) = 1d0/(1d0 + Z(:)) end subroutine renormalization_factor_Tmatrix_so