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B part of dBSE@GT

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This commit is contained in:
Pierre-Francois Loos 2022-01-12 09:18:35 +01:00
parent 96e4f15aeb
commit 23c7dfdf08
1 changed files with 4 additions and 4 deletions
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src/GT/dynamic_Tmatrix_B.f90
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@ -58,12 +58,12 @@ subroutine dynamic_Tmatrix_B(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,O
chi = 0d0 chi = 0d0
do cd=1,nVV do cd=1,nVV
eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j)) eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(b))
chi = chi + rho1(i,j,cd)*rho1(b,a,cd)*eps/(eps**2 + eta**2) chi = chi + rho1(i,j,cd)*rho1(b,a,cd)*eps/(eps**2 + eta**2)
end do end do
do kl=1,nOO do kl=1,nOO
eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b)) eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(j))
chi = chi + rho2(i,j,kl)*rho2(b,a,kl)*eps/(eps**2 + eta**2) chi = chi + rho2(i,j,kl)*rho2(b,a,kl)*eps/(eps**2 + eta**2)
end do end do
@ -72,12 +72,12 @@ subroutine dynamic_Tmatrix_B(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,O
chi = 0d0 chi = 0d0
do cd=1,nVV do cd=1,nVV
eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j)) eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(b))
chi = chi + rho1(i,j,cd)*rho1(b,a,cd)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 chi = chi + rho1(i,j,cd)*rho1(b,a,cd)*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do end do
do kl=1,nOO do kl=1,nOO
eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b)) eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(j))
chi = chi + rho2(i,a,kl)*rho2(b,a,kl)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 chi = chi + rho2(i,a,kl)*rho2(b,a,kl)*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do end do