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| Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System | |
| 引用本文： | MAMEDOV B.A.. Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System[J]. 中国化学, 2004, 22(6): 545-548. DOI: 10.1002/cjoc.20040220610 |
| 作者姓名： | MAMEDOV B.A. |
| 作者单位： | DepartmentofPhysics,FacultyofArtsandSciences,GaziosmanpasaUniversity,Tokat,Turkey |
| 摘 要： | A closed analytical relation is derived for the two-center nuclear attraction integrals over Slater type orbitals (STOs) in terms of binomial coefficients. This formula can be used in highly accurate calculations of the nuclear attraction integrals. The relationships obtained are valid for arbitrary values of quantum numbers and screening constants of STOs and location of nuclei. |
| 关 键 词： | 分子积分 重叠积分 双核引力积分 斯莱特类型轨道 |
Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System |
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| MAMEDOV,B. A. Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System[J]. Chinese Journal of Chemistry, 2004, 22(6): 545-548. DOI: 10.1002/cjoc.20040220610 | |
| Authors: | MAMEDOV B. A |
| Affiliation: | MAMEDOV,B. A.Department of Physics,Faculty of Arts and Sciences,Gaziosmanpasa University,Tokat,Turkey |
| Abstract: | A closed analytical relation is derived for the two-center nuclear attraction integrals over Slater type orbitals (STOs) in terms of binomial coefficients. This formula can be used in highly accurate calculations of the nuclear at-traction integrals. The relationships obtained are valid for arbitrary values of quantum numbers and screening con-stants of STOs and location of nuclei. |
| Keywords: | Slater type orbitals nuclear attraction integrals overlap integrals molecular integrals |
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