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

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

Künye