mirror of
https://github.com/pfloos/quack
synced 2024-12-25 13:53:41 +01:00
57 lines
1.4 KiB
Fortran
57 lines
1.4 KiB
Fortran
subroutine renormalization_factor_Tmatrix(alpha,eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,rho1,Omega2,rho2,Z)
|
|
|
|
! Compute renormalization factor of the T-matrix self-energy
|
|
|
|
implicit none
|
|
include 'parameters.h'
|
|
|
|
! Input variables
|
|
|
|
double precision,intent(in) :: alpha
|
|
double precision,intent(in) :: eta
|
|
integer,intent(in) :: nBas,nC,nO,nV,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,cd,kl
|
|
double precision :: eps
|
|
|
|
! Output variables
|
|
|
|
double precision,intent(out) :: Z(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)
|
|
Z(p) = Z(p) - (rho1(p,i,cd)/eps)**2
|
|
enddo
|
|
enddo
|
|
enddo
|
|
|
|
! Virtual part of the T-matrix self-energy
|
|
|
|
do p=nC+1,nBas-nR
|
|
do a=1,nV-nR
|
|
do kl=1,nOO
|
|
eps = e(p) + e(nO+a) - Omega2(kl)
|
|
Z(p) = Z(p) - (rho2(p,a,kl)/eps)**2
|
|
enddo
|
|
enddo
|
|
enddo
|
|
|
|
! Compute renormalization factor from derivative of SigT
|
|
|
|
! Z(:) = 1d0/(1d0 + Z(:))
|
|
|
|
end subroutine renormalization_factor_Tmatrix
|