| 孪函数N电子基向Slater多电子反对称基的展开 |
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| 引用本文： | 王国力,刘靖尧,孙家鍾. 孪函数N电子基向Slater多电子反对称基的展开[J]. 高等学校化学学报, 1998, 19(5): 796-798 |
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| 作者姓名： | 王国力 刘靖尧 孙家鍾 |
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| 作者单位： | 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春, 130023 |
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| 摘 要： | 发展了一套孪函数多电子基向Slater行列式的展开方法,并得到展开系数的解析表达式,使得孪函数多电子基直接与Hartree-Fock从头计算相关联.
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| 关 键 词： | 辛群 孪函数 N 电子基组 Slater行列式 |
| 收稿时间： | 1997-01-30 |
The Expansion Formula of Geminal N-Electron Basis Set in Terms of Slater Determinants |
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| WANG Guo-Li,LIU Jing-Yao,SUN Chia-Chung. The Expansion Formula of Geminal N-Electron Basis Set in Terms of Slater Determinants[J]. Chemical Research In Chinese Universities, 1998, 19(5): 796-798 |
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| Authors: | WANG Guo-Li LIU Jing-Yao SUN Chia-Chung |
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| Affiliation: | Institute of Theoretical Chemistry and National Key Laboratary of Computational Theoretical Chemistry, Jinlin University, Changchun, 130023 |
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| Abstract: | By means of a deeper investigation of geminal N electron basis set, the expansion formula of geminal N electron basis set in terms of Slater determinants is obtained, in which the expansion coefficients are given explicity. As a direct result, the Hartree Fock ab initio calculations can be taken as the starting point in the application of the geminal N electron basis set for practical use. |
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| Keywords: | Symplectic group Geminal N electron basis Slater determinant |
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