On the Evaluation of Multielectron Molecular Integrals Over Slater-Type Orbitals Using Binomial Coefficients
Yükleniyor...
Dosyalar
Tarih
1995
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
ELSEVIER SCIENCE BV
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In the formulas given by the author for the multicenter molecular integrals with an arbitrary s-electron operator F-(s)(s = 1, 2,...) all the expansion coefficients are expressed through the binomial coefficients. The final results are of a simple structure and are, therefore, especially useful for the calculation of these coefficients for large quantum numbers. By the use of the derived expressions in terms of binomial coefficients multielectron molecular integrals over Slater-type orbitals can be evaluated most efficiently and accurately from the series expansion formulas.
Açıklama
Anahtar Kelimeler
Kaynak
Journal of Molecular Structure (Theochem)
WoS Q Değeri
N/A
Scopus Q Değeri
N/A
Cilt
336
Sayı
1
Künye
Guseinov, I. I., (1995). On the Evaluation of Multielectron Molecular Integrals Over Slater-Type Orbitals Using Binomial Coefficients. Journal of Molecular Structure (Theochem). 336(1). 17-20.
