Exact Gaussian expansions of Slater-type atomic orbitals.
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.
Universidade Estadual de Campinas, Instituto de Química, Departamento de Físico-Química, Caixa Postal 6154, 13083-970 Campinas, SP, Brazil.
André Severo Pereira
AS
Gomes
Rogério
R
Custodio