Kramers Pairs in configuration interaction

Research output: Contribution to journalJournal articleResearchpeer-review

The theory of symmetry-preserving Kramers pair creation operators is
reviewed and formulas for applying these operators to configuration
interaction calculations are derived. A new and more general type
of symmetry-preserving pair creation operator is proposed and shown
to commute with the total spin operator and with all of the
symmetry operations which leave the core Hamiltonian of a many-electron
system invariant. The theory is extended to cases where orthonormality
of orbitals of different configurations cannot be assumed.
Original languageEnglish
Book seriesAdvances in Quantum Chemistry
Pages (from-to)185–206
Number of pages22
Publication statusPublished - 2003

    Research areas

  • Faculty of Science - atomic spectra, kramer's pairs, symmetry adapted, Sturmian bases, generalized Sturmian method, Russel Saunders states, creation operators, annihilation operators

ID: 1245312