Computation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integrals

[ X ]

Tarih

2000

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Elsevier Science Bv

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

Using formulas given by one of the authors [I.I. Guseinov, J. Mel. Struct. (Theochem) 417 (1997) 117], the multicenter electron-repulsion integrals with the arbitrary location and screening constants of Slater-type orbitals (STOs) are calculated for extremely large quantum numbers. Accuracy of the results is quite high for quantum numbers n, l and m of STOs. (C) 2000 Elsevier Science B.V. All rights reserved.

Açıklama

Anahtar Kelimeler

electron-repulsion integrals, Slater-type orbitals, Gaussian-type orbitals, overlap integrals

Kaynak

Journal of Molecular Structure-Theochem

WoS Q Değeri

Q3

Scopus Q Değeri

N/A

Cilt

503

Sayı

3

Künye