Spanning the Hilbert Space With an Even Tempered Gaussian Basis Set

被引：26

作者：

Cherkes, Ira ^{[1
]}

Klaiman, Shachar ^{[2
,3
]}

Moiseyev, Nimrod ^{[1
,2
,3
]}

机构：

[1] Technion Israel Inst Technol, Russell Berrie Nanotechnol Inst, IL-32000 Haifa, Israel

[2] Technion Israel Inst Technol, Shulich Dept Chem, IL-32000 Haifa, Israel

[3] Technion Israel Inst Technol, Minerva Ctr Nonlinear Phys Complex Syst, IL-32000 Haifa, Israel

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2009年 / 109卷 / 13期

关键词：

even-tempered; gaussian basis; Gram-Schmidt orthogonalization; SYSTEMATIC SEQUENCES; FORMULAS;

D O I：

10.1002/qua.22090

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 this work we show how and why the well-known Gaussian even-tempered basis spans the Hilbert space evenly. This basis is thought to be chosen based mainly on empirical results. However as shown here it can also be deduced based on rigorous numerical ground using a Gram-Schmidt orthogonalization procedure. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2996-3002, 2009

引用

页码：2996 / 3002

页数：7

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