subroutine dynamic_Tmatrix_A(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGT,Omega1,Omega2,rho1,rho2,OmBSE,A_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 integer :: maxS double precision :: chi double precision :: eps integer :: i,j,a,b,ia,jb,kc ! Output variables double precision,intent(out) :: A_dyn(nS,nS) ! Initialization A_dyn(:,:) = 0d0 ! Number of poles taken into account maxS = nS ! 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 kc=1,maxS ! chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*OmRPA(kc)/(OmRPA(kc)**2 + eta**2) enddo A_dyn(ia,jb) = A_dyn(ia,jb) - 4d0*lambda*chi chi = 0d0 do kc=1,maxS ! eps = + OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)) ! chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*eps/(eps**2 + eta**2) ! eps = + OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)) ! chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*eps/(eps**2 + eta**2) enddo A_dyn(ia,jb) = A_dyn(ia,jb) - 2d0*lambda*chi enddo enddo enddo enddo end subroutine dynamic_Tmatrix_A