Group Theoretical Classification of Solutions of the Unrestricted Hartree-Fock Equation in Molecular Systems with a Spatial Point Symmetry

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概要

• 論文の詳細を見る

• A group theoretical classification of solutions of the UHF equation is developed for molecular systems with a spatial point symmetry. All possible types of UHF solutions with distinct broken symmetries are listed up for each spatial point symmetry group P. It is shown that a UHF solution of torsional spin wave (TSW) type is characterized by a subgroup P' of P, its normal subgroup N, its factor group F=P'/N and an automorphism of F. The condition is given for a UHF solution of TSW type to be admissible with each of the other seven classes in spin and time reversal symmetry. An algorism is given to obtain the spin structure which is realizable in a UHF solution.

• 理論物理学刊行会の論文
• 1978-11-25

著者

• Ozaki Masa-aki

  Department Of Physics Kyoto University

• FUKUTOME Hideo

  Department of Physics, Kyoto University

• Fukutome Hideo

  Department Of Physics Faculty Of Science Kyoto University

• Ozaki Masa-aki

  Department Of Physics Kochi University

• OZAKI Masa-aki

  Department of Physics, Kochi University

• FUKUTOME Hideo

  Department of Physics, Faculty of Science, Kyoto University

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