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https://github.com/pfloos/quack
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75 lines
2.1 KiB
Fortran
75 lines
2.1 KiB
Fortran
subroutine GGTpp_ppBSE_static_kernel_C(eta,nOrb,nC,nO,nV,nR,nOO,nVV,lambda,ERI,eGF,Om1,rho1,Om2,rho2,T,KC_sta)
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! Compute the VVVV block of the T-matrix static pp kernels
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implicit none
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include 'parameters.h'
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! Input variables
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double precision,intent(in) :: eta
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integer,intent(in) :: nOrb
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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) :: ERI(nOrb,nOrb,nOrb,nOrb)
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double precision,intent(in) :: eGF(nOrb)
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double precision,intent(in) :: Om1(nVV)
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double precision,intent(in) :: rho1(nOrb,nOrb,nVV)
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double precision,intent(in) :: Om2(nOO)
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double precision,intent(in) :: rho2(nOrb,nOrb,nOO)
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double precision,intent(in) :: T(nOrb,nOrb,nOrb,nOrb)
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! Local variables
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double precision :: dem,num
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integer :: p,q,r,s,e,m
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integer :: a,b,c,d,k,l
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integer :: ab,kl,cd
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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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! Computing the kernel
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! This is the same code as for the GF(2) kernel with elements T instead of ERI
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ab = 0
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do a=nO+1,nOrb-nR
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do b=a+1,nOrb-nR
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ab = ab + 1
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cd = 0
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do c=nO+1,nOrb-nR
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do d=c+1,nOrb-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,nOrb-nR
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dem = eGF(m) - eGF(e)
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num = (T(a,m,c,e) - T(a,m,e,c)) * (T(e,b,m,d) - T(e,b,d,m))
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num = num + (T(a,e,c,m) - T(a,e,m,c)) * (T(m,b,e,d) - T(m,b,d,e))
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num = num - (T(b,m,c,e) - T(b,m,e,c)) * (T(e,a,m,d) - T(e,a,d,m))
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num = num - (T(b,e,c,m) - T(b,e,m,c)) * (T(m,a,e,d) - T(m,a,d,e))
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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 subroutine
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