Symmetry and degeneracy in density functional theory (bibtex)
by Jacob Katriel, Federico Zahariev, 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 Jacob Katriel, Federico Zahariev, Kieron Burke, International Journal of Quantum Chemistry 85, 432-435 (2001).
Bibtex Entry:
@article{KZB01,
	Pub-num = {59},
	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}}
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