double precision function GTpp_SigC(p,w,eta,nBas,nC,nO,nV,nR,nOOs,nVVs,nOOt,nVVt,e,Om1s,rho1s,Om2s,rho2s, & Om1t,rho1t,Om2t,rho2t) ! 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) :: nOOs,nOOt integer,intent(in) :: nVVs,nVVt double precision,intent(in) :: e(nBas) double precision,intent(in) :: Om1s(nVVs),Om1t(nVVt) double precision,intent(in) :: rho1s(nBas,nBas,nVVs),rho1t(nBas,nBas,nVVt) double precision,intent(in) :: Om2s(nOOs),Om2t(nOOt) double precision,intent(in) :: rho2s(nBas,nBas,nOOs),rho2t(nBas,nBas,nOOt) ! Local variables integer :: i,a,cd,kl double precision :: eps ! Initialize GTpp_SigC = 0d0 !---------------------------------------------- ! Occupied part of the T-matrix self-energy !---------------------------------------------- do i=nC+1,nO do cd=1,nVVs eps = w + e(i) - Om1s(cd) GTpp_SigC = GTpp_SigC + rho1s(p,i,cd)**2*eps/(eps**2 + eta**2) end do do cd=1,nVVt eps = w + e(i) - Om1t(cd) GTpp_SigC = GTpp_SigC + rho1t(p,i,cd)**2*eps/(eps**2 + eta**2) end do end do !---------------------------------------------- ! Virtual part of the T-matrix self-energy !---------------------------------------------- do a=nO+1,nBas-nR do kl=1,nOOs eps = w + e(a) - Om2s(kl) GTpp_SigC = GTpp_SigC + rho2s(p,a,kl)**2*eps/(eps**2 + eta**2) end do do kl=1,nOOt eps = w + e(a) - Om2t(kl) GTpp_SigC = GTpp_SigC + rho2t(p,a,kl)**2*eps/(eps**2 + eta**2) end do end do end function