double precision function dSigmaC_GT(p,w,eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,rho1,Omega2,rho2) ! Compute diagonal of the correlation part of the self-energy implicit none include 'parameters.h' ! Input variables integer,intent(in) :: p double precision,intent(in) :: w 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,nBas,nVV) double precision,intent(in) :: Omega2(nOO) double precision,intent(in) :: rho2(nBas,nBas,nOO) ! Local variables integer :: i,a,cd,kl double precision :: eps ! Initialize dSigmaC_GT = 0d0 !---------------------------------------------- ! Occupied part of the T-matrix self-energy !---------------------------------------------- do i=nC+1,nO do cd=1,nVV eps = w + e(i) - Omega1(cd) dSigmaC_GT = dSigmaC_GT - rho1(p,i,cd)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2 enddo enddo !---------------------------------------------- ! Virtual part of the T-matrix self-energy !---------------------------------------------- do a=nO+1,nBas-nR do kl=1,nOO eps = w + e(a) - Omega2(kl) dSigmaC_GT = dSigmaC_GT - rho2(p,a,kl)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2 enddo enddo end function dSigmaC_GT