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Density functional theory for strongly interacting electrons

In the last three years, the mathematical structure of the strong-interaction limit of density functional theory (DFT) has been uncovered, and exact information on this limit has started to become available. In this talk I will illustrate two examples in which this new piece of exact information can be used to treat physical situations that are problematic for standard Kohn-Sham DFT. In the first example, more related to Physics, the strong-interaction limit of density functional theory is used to define a new framework to do practical, non-conventional, DFT calculations on medium- and strongly-correlated nanodevices such as quantum dots. The second example, more related to Chemistry, shows how including the exact treatment of the strong-interaction limit into approximate exchangecorrelation energy density functionals can be crucial to describe difficult situations such as the breaking of the chemical bond

Universitat de Girona. Departament de Química

Universitat de Girona. Institut de Química Computacional

Author: Gori-Giorgi, Paola
Date: 2010 July 6
Abstract: In the last three years, the mathematical structure of the strong-interaction limit of density functional theory (DFT) has been uncovered, and exact information on this limit has started to become available. In this talk I will illustrate two examples in which this new piece of exact information can be used to treat physical situations that are problematic for standard Kohn-Sham DFT. In the first example, more related to Physics, the strong-interaction limit of density functional theory is used to define a new framework to do practical, non-conventional, DFT calculations on medium- and strongly-correlated nanodevices such as quantum dots. The second example, more related to Chemistry, shows how including the exact treatment of the strong-interaction limit into approximate exchangecorrelation energy density functionals can be crucial to describe difficult situations such as the breaking of the chemical bond
Format: video/H263
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Citation: Gori-Giorgi, P. (2010). Density functional theory for strongly interacting electrons. A ’IX Girona Seminar’. Girona: Universitat. [Consulta 3 setembre 2010]. Disponible a: http://hdl.handle.net/10256.1/1689
Document access: http://hdl.handle.net/10256.1/1689
Language: eng
Publisher: Universitat de Girona. Departament de Química
Universitat de Girona. Institut de Química Computacional
Collection: IX Girona Seminar
Rights: Aquest document està subjecte a una llicència Creative Commons: Reconeixement - No comercial - Compartir igual (by-nc-sa)
Rights URI: http://creativecommons.org/licenses/by-nc-sa/3.0/es/deed.ca
Subject: Química quàntica -- Congressos
Quantum chemistry -- Congresses
Title: Density functional theory for strongly interacting electrons
Type: info:eu-repo/semantics/lecture
Repository: DUGiMedia

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