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.

引用

页码：135 / 141

页数：6

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