Departamento de Físico-Química, Instituto de Química, Universidade Estadual de Campinas, Caixa Postal 6154, Campinas, SP 13083-971, Brazil
Abstract:
Alternatives based on polynomial expansions of gaussian basis set exponents are introduced and evaluated. The formulas presented here outperform methods based upon the even-tempered formula or combinations of it. They closely match the performance of other methods based upon larger polynomial expansions of the logarithm of the exponents using the same or one less parameter per orbital angular symmetry.