Use of binomial coefficients in fast and accurate calculation of Löwdin-α radial functions
Yazarlar (2)
Bahtiyar Mehmetoğlu
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Prof. Dr. Ebru ÇOPUROĞLU Tokat Gaziosmanpaşa Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Mathematical Chemistry (Q4) | ||
| Dergi ISSN | 0259-9791 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2011 |
| Cilt / Sayı / Sayfa | 49 / 1 / 201–207 | DOI | 10.1007/s10910-010-9735-x |
| Makale Linki | http://link.springer.com/10.1007/s10910-010-9735-x | ||
| Özet |
| In the present paper, we introduce a new algorithm for the development of efficient numerical methods for the analytical solution of the Löwdin-α radial function. The final results are expressed through the binomial coefficients, which enable fast and accurate calculation of the Löwdin-α radial function. The comparisons of the obtained results with the literature have shown that the presented approach can be used for the fast calculation of multicenter multielectron integrals over Slater-type orbitals (STOs). The efficiency of the algorithm is discussed and its performance with several examples is demonstrated. |
| Anahtar Kelimeler |
| Löwdin-α function | Multicenter integrals | Slater-type orbitals | Wave function |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 6 |