ASYMPTOTIC FORMULAS FOR COULOMB AND HYBRID INTEGRALS WITH SLATER-TYPEFUNCTIONS

Authors
MASLOV IV NIUKKANEN AN
Citation
Iv. Maslov et An. Niukkanen, ASYMPTOTIC FORMULAS FOR COULOMB AND HYBRID INTEGRALS WITH SLATER-TYPEFUNCTIONS, Journal of structural chemistry, 35(2), 1994, pp. 157-160
Citations number
9
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
35
Issue
2
Year of publication
1994
Pages
157 - 160
Database
ISI
SICI code
0022-4766(1994)35:2<157:AFFCAH>2.0.ZU;2-I
Abstract
Asymptotic expressions are obtained for two-center Coulomb and hybrid integrals with Slater functions. Results of numerical tests of these e xpressions are presented. The use of asymptotic formulas in LCAO-MO ca lculations of electronic molecular structure substantially reduces the computation time.