Basis sets generation: Relation between Adamowicz's and the maximum overlap method

Abstract

It is shown that the method of Adamowicz for basis sets reduction [Int. J. Quantum Chem. 19, 545 (1981)] is, in practice, a particular case of the method of maximum overlap. The relationships between these two methods are discussed analytically and by means of a simple numerical example. Copyright © 1987 John Wiley & Sons, Inc.