Computation of molecular integrals over Slater-type orbitals.: Part VI.: Calculation of overlap integrals with the same screening parameters using Gegenbauer coefficients
[ X ]
Tarih
2001
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Bv
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The overlap integrals with the same screening parameters of Slater-type orbitals were calculated using the Gegenbauer coefficients. The computer results are useful especially for large quantum numbers of overlap integrals, which occur in the series expansion formulae for multicenter molecular integrals. (C) 2001 Elsevier Science B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
overlap integral, Slater-type orbital, Gegenbauer coefficient, Gaunt coefficients
Kaynak
Journal of Molecular Structure-Theochem
WoS Q Değeri
Q3
Scopus Q Değeri
N/A
Cilt
536
Sayı
1











