摘要
Under a certain kind of similarity transformation, a parameter-dependent (abbreviated as PD) symplectic group chain Sp(2M) ⊃ Sp(2M - 2) ⊃ ⋯ ⊃ Sp(2) that is characterized by a set of pairing parameters is introduced to build up the PD antisymmetrized fermion states for molecules with symplectic symmetry, and these states will be useful in carrying out the optimization procedure in quantum chemistry. In order to make a complete classification of the states, a generalized branching rule associated with the symplectic group chain is proposed. Further, we are led to the result that the explicit form of the PD antisymmetrized fermion states is obtained in terms of M one-particle operators and M geminal operators.
源语言 | 英语 |
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页(从-至) | 779-799 |
页数 | 21 |
期刊 | Journal of Theoretical and Computational Chemistry |
卷 | 5 |
期 | 4 |
DOI | |
出版状态 | 已出版 - 12月 2006 |
已对外发布 | 是 |