| Literature DB >> 12687432 |
Abstract
Analytical properties of new complete orthonormal sets of Psi(alpha) exponential-type orbitals (Psi(alpha)-ETOs where alpha=1, 0, -1, -2, em leader ), introduced by the author as finite linear combinations of Slater-type orbitals (STOs), are studied. Addition and expansion theorems for Psi(alpha)-ETOs are obtained in both coordinate and momentum representations. Using expressions of Psi(alpha)-ETOs in terms of STOs, the new methods are suggested to calculate multicenter multielectron integrals over STOs.Mesh:
Year: 2003 PMID: 12687432 DOI: 10.1007/s00894-002-0109-6
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810