New Analytical Expressions Symmetry Relations and Numerical Solutions for the Rotational Overlap Integrals
Yazarlar (3)
Prof. Dr. Selda AKDEMİR Sinop Üniversitesi, Türkiye
S. D. Eryilmaz
Amasya Üniversitesi, Türkiye
Amasya Üniversitesi, Türkiye
E. Öztekin Ondokuz Mayis University Faculty of Science And Arts, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | International Journal of Quantum Chemistry (Q2) | ||
| Dergi ISSN | 0020-7608 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2012 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 16-06-2011 |
| Cilt / Sayı / Sayfa | 112 / 6 / 1585–1591 | DOI | 10.1002/qua.23158 |
| Makale Linki | https://onlinelibrary.wiley.com/doi/10.1002/qua.23158 | ||
| UAK Araştırma Alanları |
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| Özet |
| In this article, extremely simple analytical formulas are obtained for rotational overlap integrals which occur in integrals over two reduced rotation matrix elements. The analytical derivations are based on the properties of the Jacobi polynomials and beta functions. Numerical results and special values for rotational overlap integrals are obtained by using symmetry properties and recurrence relationships for reduced rotation matrix elements. The final results are of surprisingly simple structures and very useful for practical applications. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012 |
| Anahtar Kelimeler |
| Jacobi polynomials | reduced rotation matrix elements | rotational overlap integrals |
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| Atıf Sayıları | |
| Scopus | 1 |
| Google Scholar | 1 |