ASYMPTOTIC ENERGY AND WAVE-FUNCTION OF ONE-ELECTRON MOLECULAR-ORBITAL

被引：1
|
作者：
FUKUDA, H
机构：
[1] School of Administration and Informatics, University of Shizuoka, Shizuoka-shi, Shizuoka
来源：
COMPUTER PHYSICS COMMUNICATIONS | 1994年 / 78卷 / 03期
关键词：
ONE-ELECTRON MOLECULAR ORBITAL; ASYMPTOTIC FORM;
D O I：
10.1016/0010-4655(94)90008-6
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
A program for the calculation of one-electron molecular energy and wave function for large inter nuclear distance R is reported. Asymptotic expansion of the energy and the wave function in inverse powers of R is obtained by solving the recurrence formula.
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页码：291 / 300
页数：10
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