BEGIN_PROVIDER [double precision, factor_een] implicit none BEGIN_DOC ! Electron-electron nucleus contribution to Jastrow factor END_DOC integer :: i, j, alpha, p, k, l, lmax = 0 factor_een = 0.0d0 do alpha = 1, nnuc do j = 1, nelec do i = 1, nelec do p = 2, ncord do k = p - 1, 0 if ( k == 0 ) then lmax = p - k - 2 else lmax = p - k end if do l = lmax, 0 if ( mod(p - k - l, 2) == 0 ) then factor_een = factor_een + cord_vect(p, k, l) * rescale_een_e(i, j) ** k & * (rescale_een_n(i, alpha) ** l + rescale_een_n(j, alpha) ** l) * & (rescale_een_n(i, alpha) * rescale_een_n(j, alpha)) ** ((p - k - l) * 0.5d0) end if end do end do end do end do end do end do END_PROVIDER