Calculations of two-center one-electron integrals
| dc.authorid | 0000-0003-0689-786X | |
| dc.contributor.author | Yakar, Yusuf. | |
| dc.contributor.author | Sezer, M. Özgür. | |
| dc.contributor.author | Çakır, Bekir. | |
| dc.contributor.author | Yüksel, Hüseyin. | |
| dc.date.accessioned | 2020-03-26T16:55:55Z | |
| dc.date.available | 2020-03-26T16:55:55Z | |
| dc.date.issued | 2005 | |
| dc.department | Selçuk Üniversitesi | en_US |
| dc.description.abstract | İki-merkez kinetik ve potansiyel enerji integralleri overlap integralleri ve incomplete gamma fonksiyonları cinsinden tanımlandı. Baz fonksiyonlarıyla aynı merkezde olmayan potansiyel enerji operartörü V{(C)} için yeni bir analitik ifade elde edildi. Bu integrallerin kesaplanmasında rikörsif bağıntılar ve genelleştirilmiş binom katsayıları kullanıldı. Sonuçlarımız literatürdeki sonuçlarla uyumludur. | en_US |
| dc.description.abstract | Two-center kinetic energy and nuclear attraction integrals are defined in terms of overlap integrals and incomplete gamma functions. A new analytical expression is obtained for nuclear attraction integral V{(C)} where the nuclear attraction operator is not located at the same center with the basis functions. The recursive relations and generalized binomial coefficients are used for the evaluation of these integrals. Computer results are in good agreements with values given in the literature. | en_US |
| dc.identifier.citation | Yakar Y., Sezer M.Ö., Çakır B., Yüksel H. (2005). Calculations of two-center one-electron integrals. Communications Faculty of Sciences University of Ankara Series A2-A3: Physical Sciences and Engineering, 49(1), 1-7. | |
| dc.identifier.endpage | 7 | en_US |
| dc.identifier.issn | 1303-6009 | en_US |
| dc.identifier.issn | 2618-6462 | en_US |
| dc.identifier.issue | 1 | en_US |
| dc.identifier.startpage | 1 | en_US |
| dc.identifier.uri | http://www.trdizin.gov.tr/publication/paper/detail/TlRRNU1ETXo= | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12395/19396 | |
| dc.identifier.volume | 49 | en_US |
| dc.indekslendigikaynak | TR-Dizin | en_US |
| dc.language.iso | en | en_US |
| dc.relation.ispartof | Communications Faculty of Sciences University of Ankara Series A2-A3: Physical Sciences and Engineering | en_US |
| dc.relation.publicationcategory | Makale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.selcuk | 20240510_oaig | en_US |
| dc.subject | Astronomi ve Astrofizik, slater-type orbitals. | en_US |
| dc.title | Calculations of two-center one-electron integrals | en_US |
| dc.type | Article | en_US |
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