A PROGRAM TO GENERATE CONFIGURATION-STATE LISTS

被引：16

作者：

FISCHER, CF

LIU, B

机构：

[1] Department of Computer Science, Vanderbilt University, Nashville, TN 37235

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1991年 / 64卷 / 03期

关键词：

ATOMIC STRUCTURE; CONFIGURATION INTERACTION; CONFIGURATION STATES; COMPLEX ATOMS; CORRELATION; WAVE FUNCTIONS; BOUND STATES; LS COUPLING;

D O I：

10.1016/0010-4655(91)90135-8

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The MCHF}GENCL program generates coupled configuration states according to a number of rules. The latter includes single and double replacements from a reference set as well as specific replacements. All possible configuration states of an active set of orbitals may also be generated. The latter rule is particularly useful for few-electron systems.

引用

页码：406 / 416

页数：11

共 4 条

[1] A GENERAL MULTI-CONFIGURATION HARTREE-FOCK PROGRAM [J].