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On variational principles in density and density matrix functional theories
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2010-07-08
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Levy, M. (2010). On variational principles in density and density matrix functional theories. A 'IX Girona Seminar'. Girona: Universitat. [Consulta 7 setembre 2010]. Disponible a: http://hdl.handle.net/10256.1/1728
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dc.description.abstract
Variational principles in density and density matrix functional theories will be discussed for ground states and excited states. What is allowed and not allowed in principle will be analyzed. Then expansions for the exchange-correlation potential, as obtained from orbital dependent functionals, will be presented, and constraints for the exact potential will be studied. Then it will be observed that the Kohn-Sham kinetic energy can be expressed in terms of the density and a single orbital
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1728.mp4
mel-levy.mp3
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audio/mpeg
video/H263
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Anglès
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Universitat de Girona. Departament de Química
Universitat de Girona. Institut de Química Computacional
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IX Girona Seminar
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Aquest document està subjecte a una llicència Creative Commons: Reconeixement - No comercial - Compartir igual (by-nc-sa)
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dc.title
On variational principles in density and density matrix functional theories
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Conferència/Classe
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Accés obert