Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas

I. I. Guseinov; A. M. Rzaeva; B. A. Mamedov; M. Orbay; T. Ozdogan; F. Oner

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Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas

机译：Slater型轨道上分子积分的计算。二。用平移公式计算电多极矩积分

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Analytical expressions through the overlap integrals are derived for the electric multipole moment integrals over Slater type orbitals. These formulas can be used for the calculation of the 2~#nu#-pole electric moments of a molecule in the Hartree-Fock-Roothaan approximation.

机译：通过对Slater型轨道上的电多极矩积分的重叠积分，可以得出解析表达式。这些公式可用于以Hartree-Fock-Roothaan近似计算分子的2〜＃nu＃极电矩。

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《Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems》 |1999年第1期|共3页
作者
I. I. Guseinov; A. M. Rzaeva; B. A. Mamedov; M. Orbay; T. Ozdogan; F. Oner;
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正文语种 eng
中图分类结构化学;
关键词
slater type orbitals; molecular integrals; electric moments;

机译：斯拉特型轨道分子积分电矩;

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1. Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas [J] . I. I. Guseinov, A. M. Rzaeva, B. A. Mamedov, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1999,第1期

机译：Slater型轨道上分子积分的计算。二。用平移公式计算电多极矩积分
2. Computation of molecular integrals over Slater-type orbitals. VIII. Calculation of overlap integrals with different screening parameters using series expansion formulas for Slater-type orbitals [J] . I.I.Guseinov, B.A.Mamedov, F.Oner, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2001,第1a3期

机译：Slater型轨道上的分子积分的计算。八。使用Slater型轨道的级数展开公式计算具有不同筛选参数的重叠积分
3. Calculation of Electric Multipole Moment Integrals Using Translation Formulas for Slater-Type Orbitals [J] . I.I. Guseinov, B.A. Mamedov, M. Orbay Communications in Theoretical Physics . 2000,第1期

机译：利用Slater型轨道的平移公式计算电多极矩积分
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Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas

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