subroutine renormalization_factor_Tmatrix(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,nOO,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 ! Occupied part of the T-matrix self-energy do p=nC+1,nBas-nR do i=nC+1,nO cd = 0 do c=nO+1,nBas-nR do d=nO+1,c cd = cd + 1 eps = e(p) + e(i) - Omega1(cd) Z(p) = Z(p) - 2d0*rho1(p,i,cd)**2/eps**2 enddo enddo enddo enddo ! Virtual part of the T-matrix self-energy do p=nC+1,nBas-nR do a=nO+1,nBas-nR kl = 0 do k=nC+1,nO do l=nC+1,k kl = kl + 1 eps = e(p) + e(a) - Omega2(kl) Z(p) = Z(p) - 2d0*rho2(p,a,kl)**2/eps**2 enddo enddo enddo enddo ! Compute renormalization factor from derivative of SigT Z(:) = 1d0/(1d0 - Z(:)) end subroutine renormalization_factor_Tmatrix