Use of invariants in bounding 2-fermion reduced density matrix eigenvalues
Article first published online: 19 OCT 2004
Copyright © 1988 John Wiley & Sons, Inc.
International Journal of Quantum Chemistry
Volume 33, Issue 1, pages 53–60, January 1988
How to Cite
Casida, M. E. (1988), Use of invariants in bounding 2-fermion reduced density matrix eigenvalues. Int. J. Quantum Chem., 33: 53–60. doi: 10.1002/qua.560330106
- Issue published online: 19 OCT 2004
- Article first published online: 19 OCT 2004
- Manuscript Accepted: 2 JUL 1987
- Manuscript Received: 15 AUG 1986
The known bounds on the eigenvalues of 2-Fermion reduced density matrices may be improved by considering unitarily invariant properties of the associated natural geminals and of the system 1-Fermion reduced density matrix. The polynomial invariants are particularly important, since they may be introduced systematically according to the degree of the polynomials.