subroutine dynamic_Tmatrix_A(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,Omega2,rho1,rho2,OmBSE,A_dyn,ZA_dyn) ! Compute the dynamic part of the Bethe-Salpeter equation matrices for GT implicit none include 'parameters.h' ! Input variables double precision,intent(in) :: eta integer,intent(in) :: nBas integer,intent(in) :: nC integer,intent(in) :: nO integer,intent(in) :: nV integer,intent(in) :: nR integer,intent(in) :: nS integer,intent(in) :: nOO integer,intent(in) :: nVV double precision,intent(in) :: lambda double precision,intent(in) :: eGT(nBas) double precision,intent(in) :: OmBSE double precision,intent(in) :: Omega1(nVV) double precision,intent(in) :: Omega2(nOO) double precision,intent(in) :: rho1(nBas,nBas,nVV) double precision,intent(in) :: rho2(nBas,nBas,nOO) ! Local variables double precision :: chi double precision :: eps integer :: i,j,a,b,ia,jb,cd,kl ! Output variables double precision,intent(out) :: A_dyn(nS,nS) double precision,intent(out) :: ZA_dyn(nS,nS) ! Initialization A_dyn(:,:) = 0d0 ZA_dyn(:,:) = 0d0 ! Build dynamic A matrix ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = ia + 1 jb = 0 do j=nC+1,nO do b=nO+1,nBas-nR jb = jb + 1 chi = 0d0 do cd=1,nVV chi = chi + rho1(i,j,cd)*rho1(a,b,cd)*Omega1(cd)/(Omega1(cd)**2 + eta**2) end do do kl=1,nOO chi = chi - rho2(i,j,kl)*rho2(a,b,kl)*Omega2(kl)/(Omega2(kl)**2 + eta**2) end do A_dyn(ia,jb) = A_dyn(ia,jb) - 1d0*lambda*chi chi = 0d0 do cd=1,nVV 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(a) + eGT(b)) chi = chi + rho2(i,j,kl)*rho2(a,b,kl)*eps/(eps**2 + eta**2) end do A_dyn(ia,jb) = A_dyn(ia,jb) + 1d0*lambda*chi chi = 0d0 do cd=1,nVV 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(a) + eGT(b)) chi = chi + rho2(i,j,kl)*rho2(a,b,kl)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do ZA_dyn(ia,jb) = ZA_dyn(ia,jb) - 1d0*lambda*chi end do end do end do end do end subroutine dynamic_Tmatrix_A