Group Theoretical Classification of Instabilities and Interconnection Relation of the Unrestricted Hartree-Fock Solutions in a Molecular System with a Spatial Point Symmetry. II : Special Cases ; RHF, ASDW, TSDW and TSW
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概要
- 論文の詳細を見る
The general theory of the group theoretical classification of instability and interconnection relation of UHF solution developed in I is applied to the cases ; RHF(TICS), ASDW and TSW. In these cases, single valued irreducible representations over the real number field (R-rep) are obtained. For each R-rep, the possible type of the invariance group is gained. The explicit forms of R-irreducible instability matrices in the case of RHF(TICS) are given. An example of the interconnection relation is given on a four-center exchange reaction of two hydrogen molecules in reaction paths with D_2 symmetry including D_<2d> as a special case. It is shown that the group theory works effectively for the determination of the symmetry of the bifurcating solution.
- 理論物理学刊行会の論文
- 1982-02-25
著者
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Ozaki Masa-aki
Department Of Physics Kochi University
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Ozaki Masaaki
Department Of Physics Kyoto University
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Ozaki Masa-aki
Department of Physics,Kochi University
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OZAKI Masaaki
Department of Physics, Kyoto University
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