The parameter-dependent fermion states for molecules with symplectic symmetry

C. C. Sun*, B. F. Li, Z. S. Li, H. X. Zhang, X. R. Huang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)779-799
Number of pages21
JournalJournal of Theoretical and Computational Chemistry
Volume5
Issue number4
DOIs
Publication statusPublished - Dec 2006
Externally publishedYes

Keywords

  • Fermion states
  • Geminals
  • Generalized branching rule
  • Parameter-dependent
  • Quasispin formalism
  • Symplectic groups

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