Scopus Eşleşmesi Bulundu
22
Atıf
91
Cilt
13-19
Sayfa
Scopus Yazarları: Ülfet Atav, Ayhan Özmen, Asli Karakas, Yusuf Yakar
Özet
A general analytic formula is obtained for the two-center Coulomb integrals over Slater-type orbitals in elliptical coordinates. Finite series expansions are used in the evaluation of the radial part of the integrals. The analytic formula is expressed in terms of a product of the well-known auxiliary functions Ak(p) and Bk(p) and incomplete gamma functions. Recursive relations for the computer evaluation of these functions are given as well. The recursive relations are stable and our computer results are in good agreement with the benchmark values given in the literature.
Anahtar Kelimeler (Scopus)
STO's
Elliptical coordinates
Coulomb integrals
Two-center molecular integrals
Anahtar Kelimeler
STO's
Elliptical coordinates
Coulomb integrals
Two-center molecular integrals
Makale Bilgileri
Dergi
International Journal of Quantum Chemistry
ISSN
00207608
Yıl
2003
/ 1. ay
Cilt / Sayı
91
/ 1
Sayfalar
13 – 19
Makale Türü
Özgün Makale
Hakemlik
Hakemli
Endeks
SCI-Expanded
Yayın Dili
İngilizce
Kapsam
Uluslararası
Toplam Yazar
4 kişi
Erişim Türü
Elektronik
Erişim Linki
Makaleye Git
Alan
Fen Bilimleri ve Matematik Temel Alanı-
Fizik
YÖKSİS Yazar Kaydı
Yazar Adı
ÖZMEN AYHAN,KARAKAŞ ASLI,ATAV ÜLFET,YAKAR YUSUF
YÖKSİS ID
1444642
Hızlı Erişim
Metrikler
Scopus Atıf
22
Yazar Sayısı
4