Computation of molecular integrals over Slater-type orbitals. Part VI. Calculation of overlap integrals with the same screening parameters using Gegenbauer coefficients

Guseinov, II; Oztekin, E; Huseyin, S

doi:10.1016/s0166-1280(00)00600-x

Computation of molecular integrals over Slater-type orbitals. Part VI. Calculation of overlap integrals with the same screening parameters using Gegenbauer coefficients

Atıf İçin Kopyala

Guseinov I., Oztekin E., Huseyin S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.536, sa.1, ss.59-63, 2001 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 536 Sayı: 1
Basım Tarihi: 2001
Doi Numarası: 10.1016/s0166-1280(00)00600-x
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.59-63
Çanakkale Onsekiz Mart Üniversitesi Adresli: Hayır

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.