subroutine dynamic_Tmatrix_A(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,Omega2,rho1,rho2,OmBSE,TA,ZA) ! 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) :: TA(nS,nS) double precision,intent(out) :: ZA(nS,nS) ! Initialization TA(:,:) = 0d0 ZA(:,:) = 0d0 ! Build dynamic A matrix jb = 0 !$omp parallel do default(private) shared(TA,ZA,Omega1,Omega2,OmBSE,eGT,rho1,rho2,nO,nBas,nVV,nOO,chi,eps,eta,nC,nR,lambda) do j=nC+1,nO do b=nO+1,nBas-nR jb = (b-nO) + (j-1)*(nBas-nO) ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = (a-nO) + (i-1)*(nBas-nO) chi = 0d0 do cd=1,nVV eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j)) chi = chi + rho1(i,b,cd)*rho1(a,j,cd)*eps/(eps**2 + eta**2) end do do kl=1,nOO eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b)) chi = chi + rho2(i,b,kl)*rho2(a,j,kl)*eps/(eps**2 + eta**2) end do TA(ia,jb) = TA(ia,jb) - lambda*chi chi = 0d0 do cd=1,nVV eps = + OmBSE - Omega1(cd) + (eGT(i) + eGT(j)) chi = chi + rho1(i,b,cd)*rho1(a,j,cd)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do do kl=1,nOO eps = + OmBSE + Omega2(kl) - (eGT(a) + eGT(b)) chi = chi + rho2(i,b,kl)*rho2(a,j,kl)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do ZA(ia,jb) = ZA(ia,jb) + lambda*chi end do end do end do end do !$omp end parallel do end subroutine dynamic_Tmatrix_A