THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX

THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX

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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. 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.

作者沈伊民李伯符孙家钟

机构地区 Center of Analysis & Measurement Institute of Theoretical Chemistry

出处《Science China Chemistry》 SCIE EI CAS 1991年第9期1025-1035,共11页 中国科学（化学英文版）

基金 Project supported by the National Natural Science Foundation of China.

关键词 IRREDUCIBLE TENSOR quasi-spin GROUP CHAIN many-electron state. irreducible tensor, quasi-spin, group chain, many-electron state.

分类号 O6 [理学—化学]

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Science China Chemistry

1991年第9期

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THE STUDY OF MANY-BODY THEORY OF VALENCE-ELECTRON STRUCTURE OF METAL COMPLEX

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