Symmetry and degeneracy in density functional theory

Citation
J. Katriel et al., Symmetry and degeneracy in density functional theory, INT J QUANT, 85(4-5), 2001, pp. 432-435
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
85
Issue
4-5
Year of publication
2001
Pages
432 - 435
Database
ISI
SICI code
0020-7608(200111/12)85:4-5<432:SADIDF>2.0.ZU;2-L
Abstract
The superhamiltonian formalism is used to construct a totally symmetric sup erdensity for a system whose ground state corresponds to a multidimensional irreducible representation of the symmetry group of the Hamiltonian. A Hoh enberg-Kohn theorem is proven and the Levy constrained-search procedure is adapted. An appropriate generalization allows the application of this proce dure to degenerate excited states. (C) 2001 John Wiley & Sons, Inc.