subroutine Bethe_Salpeter_B_matrix_dynamic(eta,nBas,nC,nO,nV,nR,nS,lambda,OmRPA,OmBSE,rho,B_lr) ! Compute the dynamic part of the Bethe-Salpeter equation matrices 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) :: OmRPA(nS) double precision,intent(in) :: OmBSE 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) :: B_lr(nS,nS) B_lr(:,:) = 0d0 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 kc=1,nS eps = OmRPA(kc)**2 + eta**2 chi = chi + rho(i,b,kc)*rho(a,j,kc)*OmRPA(kc)/eps enddo B_lr(ia,jb) = B_lr(ia,jb) - 4d0*lambda*chi chi = 0d0 do kc=1,nS eps = (OmBSE - OmRPA(kc))**2 + eta**2 chi = chi + rho(i,b,kc)*rho(a,j,kc)*(OmBSE - OmRPA(kc))/eps eps = (OmBSE + OmRPA(kc))**2 + eta**2 chi = chi - rho(i,b,kc)*rho(a,j,kc)*(OmBSE + OmRPA(kc))/eps enddo B_lr(ia,jb) = B_lr(ia,jb) - 2d0*lambda*chi enddo enddo enddo enddo end subroutine Bethe_Salpeter_B_matrix_dynamic