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Exact Gaussian expansions of Slater-type atomic orbitals

✍ Scribed by André Severo Pereira Gomes; Rogério Custodio

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
97 KB
Volume
23
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternatives depends only on appropriate numerical integration techniques. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1007–1012, 2002

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