mirror of
https://github.com/pfloos/quack
synced 2024-06-02 11:25:28 +02:00
61 lines
1.6 KiB
Fortran
61 lines
1.6 KiB
Fortran
double precision function dSigmaC_GT(p,w,eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,rho1,Omega2,rho2)
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! Compute diagonal of the correlation part of the self-energy
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: p
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double precision,intent(in) :: w
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double precision,intent(in) :: eta
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integer,intent(in) :: nBas
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integer,intent(in) :: nC
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integer,intent(in) :: nO
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integer,intent(in) :: nV
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integer,intent(in) :: nR
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integer,intent(in) :: nOO
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integer,intent(in) :: nVV
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double precision,intent(in) :: e(nBas)
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double precision,intent(in) :: Omega1(nVV)
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double precision,intent(in) :: rho1(nBas,nBas,nVV)
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double precision,intent(in) :: Omega2(nOO)
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double precision,intent(in) :: rho2(nBas,nBas,nOO)
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! Local variables
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integer :: i,a,cd,kl
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double precision :: eps
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! Initialize
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dSigmaC_GT = 0d0
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!----------------------------------------------
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! Occupied part of the T-matrix self-energy
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!----------------------------------------------
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do i=nC+1,nO
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do cd=1,nVV
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eps = w + e(i) - Omega1(cd)
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dSigmaC_GT = dSigmaC_GT - rho1(p,i,cd)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
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enddo
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enddo
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!----------------------------------------------
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! Virtual part of the T-matrix self-energy
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!
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!----------------------------------------------
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do a=nO+1,nBas-nR
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do kl=1,nOO
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eps = w + e(a) - Omega2(kl)
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dSigmaC_GT = dSigmaC_GT - rho2(p,a,kl)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
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enddo
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enddo
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end function
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