Modified rotation transformation method for the calculation of repulsion integrals

被引：0
|
作者：
Liu Jingjiang
Liu Fengying
Wang Yi
机构：
[1] Nankai University,
来源：
Journal of Mathematical Chemistry | 1997年 / 22卷 / 1期
关键词：
Transition Matrix; Recurrence Relation; Local Coordinate System; Rotation Transformation; Laboratory Coordinate System;
D O I：
10.1023/A:1019155326653
中图分类号：
学科分类号：
摘要：
A modified rotation transformation method for two electron repulsion integrals is introduced in this paper. The percentage of nonzero matrix needed to perform the calculation is less than 30 in this method.
引用
收藏
页码：55 / 84
页数：29
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