double precision function GTeh_dSigC(p,w,eta,nBas,nC,nO,nV,nR,nS,e,Om,rhoL,rhoR) ! Compute the derivative 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) :: nS double precision,intent(in) :: e(nBas) double precision,intent(in) :: Om(nS) double precision,intent(in) :: rhoL(nBas,nBas,nS) double precision,intent(in) :: rhoR(nBas,nBas,nS) ! Local variables integer :: i,a,m double precision :: num,eps ! Initialize GTeh_dSigC = 0d0 ! Occupied part of the correlation self-energy do i=nC+1,nO do m=1,nS eps = w - e(i) + Om(m) num = rhoL(i,p,m)*rhoR(i,p,m) GTeh_dSigC = GTeh_dSigC - num*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do end do ! Virtual part of the correlation self-energy do a=nO+1,nBas-nR do m=1,nS eps = w - e(a) - Om(m) num = rhoL(p,a,m)*rhoR(p,a,m) GTeh_dSigC = GTeh_dSigC - num*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do end do end function