On the modeling of molecular distributed basis sets from spherical Gaussian functions

被引：0
|
作者：
V. N. Glushkov
O. S. Belkina
机构：
[1] Dnepropetrovsk National University,
来源：
Optics and Spectroscopy | 2007年 / 102卷
关键词：
31.15.Ar;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The specific features of the application of distributed functions to the calculation of the energy of molecules in the Hartree-Fock approximation are considered, and models for the generation of such functions are proposed. The results can be used for modification of traditional atom-centered functions by shifting their centers in accordance with the models proposed.
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页码：200 / 207
页数：7
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