File: lda_c_rc04.mpl

package info (click to toggle)
libxc 4.3.4-2
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 58,520 kB
  • sloc: ansic: 19,150; perl: 1,157; python: 803; f90: 639; makefile: 317; sh: 107
file content (20 lines) | stat: -rw-r--r-- 493 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
(*
 Copyright (C) 2017 M.A.L. Marques

 This Source Code Form is subject to the terms of the Mozilla Public
 License, v. 2.0. If a copy of the MPL was not distributed with this
 file, You can obtain one at http://mozilla.org/MPL/2.0/.
*)

(* type: work_lda *)

AA := -0.655868:
BB :=  4.888270:
CC :=  3.177037:
DD :=  0.897889:

phi := z -> 1/2*((1 + z)^(2/3) + (1 - z)^(2/3)):

f_rc04 := (rs, zeta) -> phi(zeta)^3 * (AA*arctan(BB + CC*rs) + DD)/rs:

f      := (rs, zeta) -> f_rc04(rs, zeta):