by Katriel, Jacob, Zahariev, Federico and Kieron Burke
Abstract:
The superhamiltonian formalism is used to construct a totally symmetric superdensity for a system whose ground state corresponds to a multidimensional irreducible representation of the symmetry group of the Hamiltonian. A Hohenberg-Kohn theorem is proven and the Levy constrained-search procedure is adapted. An appropriate generalization allows the application of this procedure to degenerate excited states. \copyright 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Reference:
Symmetry and degeneracy in density functional theory Katriel, Jacob, Zahariev, Federico and Kieron Burke, International Journal of Quantum Chemistry 85, 432-435 (2001).
Bibtex Entry:
@article{KZB01,
Pub-num = {059},
Abstract = {The superhamiltonian formalism is used to construct a totally symmetric superdensity for a system whose ground state corresponds to a multidimensional irreducible representation of the symmetry group of the Hamiltonian. A Hohenberg-Kohn theorem is proven and the Levy constrained-search procedure is adapted. An appropriate generalization allows the application of this procedure to degenerate excited states. {\copyright} 2001 John Wiley \& Sons, Inc. Int J Quantum Chem, 2001},
Author = {Katriel, Jacob and Zahariev, Federico and Kieron Burke},
Date-Modified = {2013-02-12 00:16:04 +0000},
Doi = {10.1002/qua.1526},
Issn = {1097-461X},
Journal = {International Journal of Quantum Chemistry},
Keywords = {degenerate states, density functional theory, Hohenberg-Kohn theorem, superhamiltonian},
Number = {4-5},
Pages = {432-435},
Publisher = {John Wiley \& Sons, Inc.},
Title = {Symmetry and degeneracy in density functional theory},
Url = {http://dx.doi.org/10.1002/qua.1526},
Volume = {85},
Year = {2001},
Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.1526}}