On variational principles in density and density matrix functional theories

dc.contributor.author	Levy, Mel
dc.date.issued	2010-07-08
dc.identifier.citation	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
dc.identifier.uri	http://hdl.handle.net/10256.1/1728
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
dc.format.mimetype	audio/mpeg
dc.format.mimetype	video/H263
dc.language.iso	eng
dc.publisher	Universitat de Girona. Departament de Química
dc.publisher	Universitat de Girona. Institut de Química Computacional
dc.relation.ispartofseries	IX Girona Seminar
dc.rights	Aquest document està subjecte a una llicència Creative Commons: Reconeixement - No comercial - Compartir igual (by-nc-sa)
dc.rights.uri	http://creativecommons.org/licenses/by-nc-sa/3.0/es/deed.ca
dc.subject	Química quàntica -- Congressos
dc.subject	Quantum chemistry -- Congresses
dc.title	On variational principles in density and density matrix functional theories
dc.type	info:eu-repo/semantics/lecture