Comment on "Computation of two-center Coulomb integrals over slater-type orbitals using elliptical coordinates"

被引：4
|
作者：
Harris, FE [1 ]
机构：
[1] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2003年 / 93卷 / 05期
关键词：
Coulomb integrals; exponential integral; Fourier method; Slater-type orbital;
D O I：
10.1002/qua.10567
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In a recent article in this journal, Ozmen, Karakas, Atav, and Yakar gave formulas for the evaluation of two-center Coulomb integrals over Slater-type orbitals (STOs) in ellipsoidal coordinates [Int J Quantum Chem 2003, 91, 13-19]. The relation of this work to the rich literature on STO integral evaluation is reviewed, with focus on the important issues of speed of computation and numerical stability. (C) 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 332-334, 2003
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页码：332 / 334
页数：3
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