subroutine Bethe_Salpeter_A_matrix(eta,nBas,nC,nO,nV,nR,nS,lambda,ERI,Omega,rho,A_lr) ! Compute the extra term for Bethe-Salpeter equation for linear response implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas,nC,nO,nV,nR,nS double precision,intent(in) :: eta double precision,intent(in) :: lambda double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas) double precision,intent(in) :: Omega(nS) double precision,intent(in) :: rho(nBas,nBas,nS) ! Local variables double precision :: chi double precision :: eps integer :: i,j,a,b,ia,jb,kc ! Output variables double precision,intent(out) :: A_lr(nS,nS) jb = 0 !$omp parallel do default(private) shared(A_lr,ERI,Omega,rho,nO,nBas,nS,chi,eps,eta,nC,nR,lambda) do j=nC+1,nO do b=nO+1,nBas-nR jb = (b-nO) + (j-1)*(nBas-nO) ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = (a-nO) + (i-1)*(nBas-nO) chi = 0d0 do kc=1,nS eps = Omega(kc)**2 + eta**2 ! chi = chi + lambda*rho(i,j,kc)*rho(a,b,kc)*Omega(kc)/eps chi = chi + rho(i,j,kc)*rho(a,b,kc)*Omega(kc)/eps enddo A_lr(ia,jb) = A_lr(ia,jb) - lambda*ERI(i,b,j,a) + 4d0*lambda*chi enddo enddo enddo enddo !$omp end parallel do end subroutine Bethe_Salpeter_A_matrix