Artículos de revistas
Exact Gaussian expansions of Slater-type atomic orbitals
Registro en:
Journal Of Computational Chemistry. John Wiley & Sons Inc, v. 23, n. 10, n. 1007, n. 1012, 2002.
0192-8651
WOS:000176386200007
10.1002/jcc.10090
Autor
Gomes, ASP
Custodio, R
Institución
Resumen
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. 23 10 1007 1012