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Type: Artigo de periódico
Title: Exact Gaussian expansions of Slater-type atomic orbitals
Author: Gomes, ASP
Custodio, R
Abstract: Three exact Slater-type function (STO) integral transforms are presented. The STO-NG basis set can then be developed using either only Is 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. (C) 2002 Wiley Periodicals, Inc.
Subject: Slater-type orbital
integral transform
Gaussian expansion
numerical integration
Country: EUA
Editor: John Wiley & Sons Inc
Citation: Journal Of Computational Chemistry. John Wiley & Sons Inc, v. 23, n. 10, n. 1007, n. 1012, 2002.
Rights: fechado
Identifier DOI: 10.1002/jcc.10090
Date Issue: 2002
Appears in Collections:Unicamp - Artigos e Outros Documentos

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