Hartree Fock Slater self consistent field calculations

Title of program: H.F.S. SELF CONSISTENT FIELD
Catalogue Id: ACQI_v1_0

Nature of problem
With present programs the Hartree-Fock (H.F.) equations can be treated for nearly all configurations. It has been shown, however, that accurate electron binding energies can be obtained without use of the comparatively complicated H.F. scheme. Since the main difficulty posed by the H.F. equations is the treatment of the non local exchange potential it would be desirable to find a good local approximation to the H.F. potential. The approximation suggested by Slater is used in this program as it h ...

Versions of this program held in the CPC repository in Mendeley Data
ACQI_v1_0; H.F.S. SELF CONSISTENT FIELD; 10.1016/0010-4655(70)90008-1

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

程序标题：H.F.S. 自洽场

问题性质
目前程序能够处理几乎所有配置的哈特里-福克（H.F.）方程。然而，已有研究表明，在不使用相对复杂的哈特里-福克方案的情况下，可以精确地获得电子结合能。由于哈特里-福克方程的主要困难在于处理非局域交换势，因此找到对哈特里-福克势的良好局部近似是非常有价值的。本程序采用了斯莱特提出的近似方法。

CPC 仓库中 Mendeley 数据存储的此程序版本
ACQI_v1_0；H.F.S. 自洽场；10.1016/0010-4655(70)90008-1

此程序已从贝尔法斯特女王大学（1969-2019年）的 CPC 程序库中导入。