subroutine Bethe_Salpeter_ZAB_matrix_dynamic(eta,nBas,nC,nO,nV,nR,nS,lambda,eGW,OmRPA,OmBSE,rho,ZAp,ZAm,ZBp,ZBm) ! 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) :: eGW(nBas) double precision,intent(in) :: OmRPA(nS) double precision,intent(in) :: OmBSE double precision,intent(in) :: rho(nBas,nBas,nS) ! Local variables integer :: maxS double precision :: chi_Ap,chi_Am,chi_Bp,chi_Bm double precision :: eps_Ap,eps_Am,eps_Bp,eps_Bm integer :: i,j,a,b,ia,jb,kc ! Output variables double precision,intent(out) :: ZAp(nS,nS) double precision,intent(out) :: ZAm(nS,nS) double precision,intent(out) :: ZBp(nS,nS) double precision,intent(out) :: ZBm(nS,nS) ! Initialization ZAp(:,:) = 0d0 ZAm(:,:) = 0d0 ZBp(:,:) = 0d0 ZBm(:,:) = 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_Ap = 0d0 chi_Am = 0d0 chi_Bp = 0d0 chi_Bm = 0d0 do kc=1,maxS eps_Ap = (+ OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)))**2 + eta**2 eps_Am = (- OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)))**2 + eta**2 chi_Ap = chi_Ap + rho(i,j,kc)*rho(a,b,kc)*((+ OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)))/eps_Ap)**2 chi_Am = chi_Am + rho(i,j,kc)*rho(a,b,kc)*((- OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)))/eps_Am)**2 eps_Ap = (+ OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)))**2 + eta**2 eps_Am = (- OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)))**2 + eta**2 chi_Ap = chi_Ap + rho(i,j,kc)*rho(a,b,kc)*((+ OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)))/eps_Ap)**2 chi_Am = chi_Am + rho(i,j,kc)*rho(a,b,kc)*((- OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)))/eps_Am)**2 eps_Bp = (+ OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))**2 + eta**2 eps_Bm = (- OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))**2 + eta**2 chi_Bp = chi_Bp + rho(i,b,kc)*rho(a,j,kc)*((+ OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))/eps_Bp)**2 chi_Bm = chi_Bm + rho(i,b,kc)*rho(a,j,kc)*((- OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))/eps_Bm)**2 eps_Bp = (+ OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))**2 + eta**2 eps_Bm = (- OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))**2 + eta**2 chi_Bp = chi_Bp + rho(i,b,kc)*rho(a,j,kc)*((+ OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))/eps_Bp)**2 chi_Bm = chi_Bm + rho(i,b,kc)*rho(a,j,kc)*((- OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))/eps_Bm)**2 enddo ZAp(ia,jb) = ZAp(ia,jb) + 2d0*lambda*chi_Ap ZAm(ia,jb) = ZAm(ia,jb) - 2d0*lambda*chi_Am ZBp(ia,jb) = ZBp(ia,jb) + 2d0*lambda*chi_Bp ZBm(ia,jb) = ZBm(ia,jb) - 2d0*lambda*chi_Bm enddo enddo enddo enddo end subroutine Bethe_Salpeter_ZAB_matrix_dynamic