Method of calculating two-center two-particle matrix elements from a screened coulomb potential in an exponential AO basis

Authors
Novosadov, BK
Citation
Bk. Novosadov, Method of calculating two-center two-particle matrix elements from a screened coulomb potential in an exponential AO basis, J STRUCT CH, 42(3), 2001, pp. 355-359
Citations number
7
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
42
Issue
3
Year of publication
2001
Pages
355 - 359
Database
ISI
SICI code
0022-4766(200105/06)42:3<355:MOCTTM>2.0.ZU;2-N
Abstract
An analytical method is suggested for calculating matrix elements from an e xponentially screened two-particle Coulomb potential in a basis set of expo nential functions specified on different centers in space. The two-particle potentials of this type may be used to approximate the short-acting parts of atom-atomic interactions in molecules in quantum-chemical structural cal culations.