Analytical evaluation of multicenter multielectron integrals of central and noncentral interaction potentials over Slater orbitals using overlap integrals and auxiliary functions
[ X ]
Tarih
2004
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Kluwer Academic/Plenum Publ
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Using expansion formulas for central and noncentral interaction potentials (CIPs and NCIPs, respectively) in terms of Slater type orbitals (STOs) obtained by the author ( I. I. Guseinov, J. Mol. Model., in press), the multicenter multielectron integrals of arbitrary interaction potentials (AIPs) are expressed through the products of overlap integrals with the same screening parameters and new auxiliary functions. For auxiliary functions, the analytic and recurrence relations are derived. The relationships obtained for multicenter multielectron integrals of AIDs are valid for the arbitrary quantum numbers, screening parameters and location of orbitals.
Açıklama
Anahtar Kelimeler
overlap integrals, multicenter multielectron integrals, central and noncentral potentials, auxiliary functions
Kaynak
Journal of Mathematical Chemistry
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
36
Sayı
2
