Artículos de revistas
Exact Gaussian Expansions Of Slater-type Atomic Orbitals.
Registro en:
Journal Of Computational Chemistry. v. 23, n. 10, p. 1007-12, 2002-Jul.
0192-8651
10.1002/jcc.10090
12116405
Autor
Gomes, André Severo Pereira
Custodio, Rogério
Institución
Resumen
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. 23 1007-12