hop_transcorr_factor Function

private function hop_transcorr_factor(J, r_vec)


Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: J
integer, intent(in) :: r_vec(3)

Return Value real(kind=dp)


Source Code

Source Code

    real(dp) function hop_transcorr_factor(J, r_vec)
        ! compute \sum_p exp(i*p*r) exp(J,r) for the 2-body term in the
        ! hopping transcorrelated real-space hubbard
        real(dp), intent(in) :: J
        integer, intent(in) :: r_vec(3)
#ifdef DEBUG_
        character(*), parameter :: this_routine = "hop_transcorr_factor"
        complex(dp) :: temp
        integer :: i, n_sites, k_vec(3)


        n_sites = lat%get_nsites()

        temp = 0.0_dp

        ! i have to have the correct dot-product of the real- and k-space
        ! vectors...
        do i = 1, n_sites
            k_vec = lat%get_k_vec(i)
            temp = temp + exp(imag_unit * lat%dot_prod(k_vec, r_vec)) * &
                   exp(-J * epsilon_kvec(i))

        end do

        hop_transcorr_factor = real(temp) / real(n_sites, dp)

        ! will this be ever comlex? check the size
        ASSERT(abs(aimag(temp)) < EPS)

    end function hop_transcorr_factor