Abstract
İki atomlu moleküllerin elektrik kuadrupol momentlerinin ifadeleri türetilmiş ve HF, HCl ve BH’ a uygulanmıştır. Hesaplamalar hem Guseinov’ un taşıma formülü kullanılarak Slater-tipi orbitaller (STO) üzerinden hem de Gauss-tipi baz setleri (GTO) kullanan GAMESS programı kullanılarak gerçekleştirilmiştir. Hesaplamaların hızlandırılması için faktöriyel içeren ifadeler binom katsayıları cinsinden ifade edilmiştir. Elde edilen sonuçlar literatürle uyum içerisindedir.
Abstract
An expression for electric quadrupole moments of diatomic molecules have been derived and applied to HF, HCl and BH for calculations. The calculations have been performed by using both Guseinov’s translation formula over Slater-type orbitals (STOs) and GAMESS programme working with Gaussian-type basis sets (GTOs). The expressions which involve factorials are given in terms of binomial coefficients in order to make calculations faster. The results have been obtained in agreement with the literature.
Details
| Other ID | JA58TC68TA |
|---|---|
| Authors | |
| Submission Date | June 1, 2002 |
| Publication Date | June 1, 2002 |
| Published in Issue | Year 2002 Volume: 1 Issue: 20 |
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Journal Owner: On behalf of Selçuk University Faculty of Science, Rector Prof. Dr. Hüseyin YILMAZ
Selcuk University Journal of Science Faculty accepts articles in Turkish and English with original results in basic sciences and other applied sciences. The journal may also include compilations containing current innovations.
It was first published in 1981 as "S.Ü. Fen-Edebiyat Fakültesi Dergisi" and was published under this name until 1984 (Number 1-4).
In 1984, its name was changed to "S.Ü. Fen-Edeb. Fak. Fen Dergisi" and it was published under this name as of the 5th issue.
When the Faculty of Letters and Sciences was separated into the Faculty of Science and the Faculty of Letters with the decision of the Council of Ministers numbered 2008/4344 published in the Official Gazette dated 3 December 2008 and numbered 27073, it has been published as "Selcuk University Journal of Science Faculty" between 2009-2025.
It has been scanned in DergiPark since 2016.
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