Expansion formulae for one- and two-center charge densities over complete orthonormal sets of exponential type orbitals and their use in evaluation of multicenter-multielectron integrals
| dc.creator | Guseinov, I. I. | |
| dc.date | 2009-02-03 | |
| dc.date.accessioned | 2026-07-07T12:37:18Z | |
| dc.date.available | 2026-07-07T12:37:18Z | |
| dc.description | The series expansion formulae are established for the one- and two-center charge densities over complete orthonormal sets of exponential type orbitals introduced by the author. Three-center overlap integrals of appearing in these relations are expressed through the two-center overlap integrals between -orbitals. The general formulae obtained for the charge densities are utilized for the evaluation of arbitrary multicenter-multielectron integrals occurring when the complete orthonormal sets of exponential type orbitals are used as basis functions in the Hartree-Fock-Roothaan and explicitly correlated methods. The relationships for charge densities and multicenter-multielectron integrals obtained are valid for the arbitrary quantum numbers, screening constants and location of orbitals. | |
| dc.description | 6 pages | |
| dc.identifier | https://arxiv.org/abs/0902.0509 | |
| dc.identifier | http://arxiv.org/abs/0902.0509 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/218393 | |
| dc.subject | Chemical Physics | |
| dc.title | Expansion formulae for one- and two-center charge densities over complete orthonormal sets of exponential type orbitals and their use in evaluation of multicenter-multielectron integrals | |
| dc.type | text |