| THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX |
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| 作者姓名： | 沈伊民 李伯符 孙家钟 |
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| 作者单位： | Center of Analysis & Measurement，Fudan University，Institute of Theoretical Chemistry，Jilin University，Institute of Theoretical Chemistry，Jilin University |
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| 基金项目： | Project supported by the National Natural Science Foundation of China. |
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| 摘 要： | An irreducible tensor method based on M. O. theory for solving many-body Schrodinger equation of valence-electron system of metal complexes has been proposed. Electronic structures of several typical octahedral transition metal complexes have been studied by means of this method. Calculated excitation energies agree with observed ones within several kcm-1.
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THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX |
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| SHEN YI-MIN.THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX[J].Science in China(Chemistry),1991(9). |
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| Authors: | SHEN YI-MIN |
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| Abstract: | An irreducible tensor method based on M. O. theory for solving many-body Schrodinger equation of valence-electron system of metal complexes has been proposed. Electronic structures of several typical octahedral transition metal complexes have been studied by means of this method. Calculated excitation energies agree with observed ones within several kcm-1. |
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| Keywords: | irreducible tensor quasi-spin group chain many-electron state |
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