Abstract
In this study, an analytical
formula in terms of binomial coefficients have been obtained for complex
spherical harmonics in Condon-Shortley phases convention. The use of this analytical
expression in the calculations of atomic and molecular structure is quite
usefull since the finite sum in this analytical expression consists of minimum
number of elements.
References
- Akin E (2003). Küresel Harmoniklerin Tekrarlama Bağıntıları ile Hesaplanması. Selçuk Üniversitesi Fen Fakültesi Fen Dergisi 21(1): 1-6.
- Arfken GB, Weber HJ, Harris FE (2011). Mathematical methods for physicists. Academic Press.
- Guseinov II (1995). On the evaluation of multielectron molecular ıntegrals over slater-type orbitals using binomial coefficients. Theochem-Journal of Molecular Structure 336(1): 17-20.
- Guseinov II, Özmen A, Atav U, Yüksel H (1995). Computation of clebsch-gordan and gaunt coefficients using binomial coefficients. Journal of Computational Physics 122(2): 343-347.
- Guseinov II, Atav U, Özmen A, Yüksel H, Aliyeva TH (1997). Calculation of rotation coefficients for overlap integrals over arbitrary atomic orbitals. Turkish Journal of Physics 21(10): 1087-1092.
- Karaoğlu B (2008). Kuantum mekaniğine giriş. Seçkin Yayıncılık.
- Weniger EJ, Steinborn EO (1982). Programs for the coupling of spherical harmonics. Computer Physics Communications 25(2): 149–157.
Abstract
Bu çalışmada Condon-Shortley faz düzenindeki kompleks
küresel harmonikler için binom katsayıları cinsinden bir analitik ifade elde
edilmiştir. Bu analitik ifadedeki sonlu toplam minumum sayıda terim içerdiği
için bu analitik ifadenin atomik ve moleküler yapı hesaplamalarında
kullanılması oldukça elverişlidir.
References
- Akin E (2003). Küresel Harmoniklerin Tekrarlama Bağıntıları ile Hesaplanması. Selçuk Üniversitesi Fen Fakültesi Fen Dergisi 21(1): 1-6.
- Arfken GB, Weber HJ, Harris FE (2011). Mathematical methods for physicists. Academic Press.
- Guseinov II (1995). On the evaluation of multielectron molecular ıntegrals over slater-type orbitals using binomial coefficients. Theochem-Journal of Molecular Structure 336(1): 17-20.
- Guseinov II, Özmen A, Atav U, Yüksel H (1995). Computation of clebsch-gordan and gaunt coefficients using binomial coefficients. Journal of Computational Physics 122(2): 343-347.
- Guseinov II, Atav U, Özmen A, Yüksel H, Aliyeva TH (1997). Calculation of rotation coefficients for overlap integrals over arbitrary atomic orbitals. Turkish Journal of Physics 21(10): 1087-1092.
- Karaoğlu B (2008). Kuantum mekaniğine giriş. Seçkin Yayıncılık.
- Weniger EJ, Steinborn EO (1982). Programs for the coupling of spherical harmonics. Computer Physics Communications 25(2): 149–157.
Details
| Journal Section | Research Articles |
|---|---|
| Authors | |
| Publication Date | April 28, 2017 |
| Submission Date | April 28, 2017 |
| Published in Issue | Year 2017 Volume: 43 Issue: 1 |
Cite
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" since 2009.
It has been scanned in DergiPark since 2016.
Selcuk University Journal of Science Faculty is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) License.