mirror of
https://github.com/pfloos/quack
synced 2024-12-23 04:43:42 +01:00
113 lines
2.5 KiB
Fortran
113 lines
2.5 KiB
Fortran
subroutine RGTpp_ppBSE_static_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nOO,nVV,lambda,eGF,Taaaa,Tabab,Tbaab,KC_sta)
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! Compute the VVVV block of the static T-matrix
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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) :: ispin
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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) :: lambda
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double precision,intent(in) :: eGF(nBas)
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double precision,intent(in) :: Taaaa(nBas,nBas,nBas,nBas)
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double precision,intent(in) :: Tabab(nBas,nBas,nBas,nBas)
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double precision,intent(in) :: Tbaab(nBas,nBas,nBas,nBas)
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! Local variables
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double precision,external :: Kronecker_delta
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double precision :: dem,num
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double precision :: chi
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double precision :: eps
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integer :: a,b,c,d,ab,cd,ef,mn,m,e
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! Output variables
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double precision,intent(out) :: KC_sta(nVV,nVV)
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! Initialization
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KC_sta(:,:) = 0d0
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!===============!
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! singlet block !
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!===============!
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if(ispin == 1) then
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ab = 0
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do a=nO+1,nBas-nR
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do b=a,nBas-nR
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ab = ab + 1
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cd = 0
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do c=nO+1,nBas-nR
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do d=c,nBas-nR
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cd = cd + 1
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chi = 0d0
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do ef=1,nVV
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eps = 0d0
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chi = chi + 0d0
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end do
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do mn=1,nOO
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eps = 0d0
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chi = chi + 0d0
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end do
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KC_sta(ab,cd) = 0.5d0*lambda*chi/sqrt((1d0 + Kronecker_delta(a,b))*(1d0 + Kronecker_delta(c,d)))
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end do
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end do
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end do
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end do
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end if
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!===============!
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! triplet block !
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!===============!
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if(ispin == 2) then
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ab = 0
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do a=nO+1,nBas-nR
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do b=a+1,nBas-nR
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ab = ab + 1
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cd = 0
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do c=nO+1,nBas-nR
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do d=c+1,nBas-nR
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cd = cd + 1
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do m=nC+1,nO
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do e=nO+1,nBas-nR
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dem = eGF(m) - eGF(e)
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num = 2d0*(Taaaa(a,m,c,e)*Taaaa(e,b,m,d) + Tabab(a,m,c,e)*Tabab(e,b,m,d))
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KC_sta(ab,cd) = KC_sta(ab,cd) + num*dem/(dem**2 + eta**2)
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end do
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end do
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end do
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end do
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end do
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end do
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end if
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end subroutine
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