PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-22 04:13:52 +01:00
Code Releases Activity

fix form of the dynamical T-matrix

Browse Source
This commit is contained in:
Pierre-Francois Loos 2021-10-20 23:19:27 +02:00
parent 7fd40afee5
commit 52a7e632c4
2 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/MBPT/dynamic_Tmatrix_A.f90
View File

@ -68,12 +68,12 @@ subroutine dynamic_Tmatrix_A(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,O
chi = 0d0
do cd=1,nVV
eps = + OmBSE - Omega1(cd) - (eGT(a) - eGT(j))
eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j))
chi = chi + rho1(i,j,cd)*rho1(a,b,cd)*eps/(eps**2 + eta**2)
end do
do kl=1,nOO
eps = + OmBSE - Omega2(kl) - (eGT(b) - eGT(i))
eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b))
chi = chi + rho2(i,j,kl)*rho2(a,b,kl)*eps/(eps**2 + eta**2)
end do

4
src/MBPT/dynamic_Tmatrix_ZA.f90
View File

@ -54,12 +54,12 @@ subroutine dynamic_Tmatrix_ZA(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,
chi = 0d0
do cd=1,nVV
eps = + OmBSE - Omega1(cd) - (eGT(a) - eGT(j))
eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j))
chi = chi + rho1(i,j,cd)*rho1(a,b,cd)*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do
do kl=1,nOO
eps = + OmBSE - Omega2(kl) - (eGT(b) - eGT(i))
eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b))
chi = chi + rho2(i,j,kl)*rho2(a,b,kl)*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do