Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers over Slater Type Orbitals
Yazarlar (1)
Prof. Dr. Ebru ÇOPUROĞLU Tokat Gaziosmanpaşa Üniversitesi, Türkiye
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Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Chemistry (Q4) | ||
| Dergi ISSN | 2090-9063 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2017 |
| Cilt / Sayı / Sayfa | 2017 / 1 / 1–6 | DOI | 10.1155/2017/1598951 |
| Makale Linki | https://doi.org/10.1155/2017/1598951 | ||
| Özet |
| We have proposed a new approach to evaluate self‐friction (SF) three‐center nuclear attraction integrals over integer and noninteger Slater type orbitals (STOs) by using Guseinov one‐range addition theorem in standard convention. A complete orthonormal set of Guseinov ψ(α) exponential type orbitals (ψ(α)‐ETOs, α = 2,1, 0, −1, −2, …) has been used to obtain the analytical expressions. The overlap integrals with noninteger quantum numbers occurring in SF three‐center nuclear attraction integrals have been evaluated using auxiliary functions. The accuracy of obtained formulas is satisfactory for arbitrary integer and noninteger principal quantum numbers. |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 5 |