Addition and expansion theorems for complete orthonormal sets of exponential-type orbitals in coordinate and momentum representations

被引：0
|
作者：
Israfil Guseinov
机构：
[1] Onsekiz Mart University,Department of Physics, Faculty of Arts and Sciences
来源：
Journal of Molecular Modeling | 2003年 / 9卷
关键词：
Exponential-type orbitals; Slater-type orbitals; Multicenter integrals; Fourier transform method;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Analytical properties of new complete orthonormal sets of Ψα exponential-type orbitals (Ψα-ETOs where α=1, 0, −1, −2, …), introduced by the author as finite linear combinations of Slater-type orbitals (STOs), are studied. Addition and expansion theorems for Ψα-ETOs are obtained in both coordinate and momentum representations. Using expressions of Ψα-ETOs in terms of STOs, the new methods are suggested to calculate multicenter multielectron integrals over STOs.
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页码：135 / 141
页数：6
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