subroutine self_energy_Tmatrix(eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,Omega2,rho1,rho2,SigT) ! Compute the correlation part of the T-matrix self-energy implicit none include 'parameters.h' ! Input variables double precision,intent(in) :: eta integer,intent(in) :: nBas integer,intent(in) :: nC integer,intent(in) :: nO integer,intent(in) :: nV integer,intent(in) :: 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,nO,nVV) double precision,intent(in) :: Omega2(nOO) double precision,intent(in) :: rho2(nBas,nV,nOO) ! Local variables integer :: i,j,k,l,a,b,c,d,p,q,cd,kl double precision :: eps ! Output variables double precision,intent(out) :: SigT(nBas,nBas) ! Initialize SigT = 0d0 ! Occupied part of the T-matrix self-energy do p=nC+1,nBas-nR do q=nC+1,nBas-nR do i=nC+1,nO cd = 0 do c=nO+1,nBas-nR do d=c+1,nBas-nR cd = cd + 1 eps = e(p) + e(i) - Omega1(cd) SigT(p,q) = SigT(p,q) + 2d0*rho1(p,i,cd)*rho1(q,i,cd)*eps/(eps**2 + eta**2) enddo enddo enddo enddo enddo ! Virtual part of the T-matrix self-energy do p=nC+1,nBas-nR do q=nC+1,nBas-nR do a=nO+1,nBas-nR kl = 0 do k=nC+1,nO do l=k+1,nO kl = kl + 1 eps = e(p) + e(a) - Omega2(kl) SigT(p,q) = SigT(p,q) + 2d0*rho2(p,a,kl)*rho2(q,a,kl)*eps/(eps**2 + eta**2) enddo enddo enddo enddo enddo end subroutine self_energy_Tmatrix