10
1
mirror of https://github.com/pfloos/quack synced 2024-12-24 21:33:45 +01:00
QuAcK/src/MBPT/self_energy_Tmatrix_diag.f90
2021-10-17 23:04:22 +02:00

60 lines
1.7 KiB
Fortran

subroutine self_energy_Tmatrix_diag(eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,rho1,Omega2,rho2,SigT)
! Compute diagonal of 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,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(inout) :: SigT(nBas)
!----------------------------------------------
! Occupied part of the T-matrix self-energy
!----------------------------------------------
do p=nC+1,nBas-nR
do i=nC+1,nO
do cd=1,nVV
eps = e(p) + e(i) - Omega1(cd)
SigT(p) = SigT(p) + rho1(p,i,cd)**2*eps/(eps**2 + eta**2)
enddo
enddo
enddo
!----------------------------------------------
! Virtual part of the T-matrix self-energy
!----------------------------------------------
do p=nC+1,nBas-nR
do a=nO+1,nBas-nR
do kl=1,nOO
eps = e(p) + e(a) - Omega2(kl)
SigT(p) = SigT(p) + rho2(p,a,kl)**2*eps/(eps**2 + eta**2)
enddo
enddo
enddo
end subroutine self_energy_Tmatrix_diag