Ítem
Gori-Giorgi, Paola | |
6 juliol 2010 | |
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 | |
video/H263 audio/mpeg |
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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 | |
http://hdl.handle.net/10256.1/1689 | |
eng | |
Universitat de Girona. Departament de Química Universitat de Girona. Institut de Química Computacional |
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IX Girona Seminar | |
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Química quàntica -- Congressos
Quantum chemistry -- Congresses |
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Density functional theory for strongly interacting electrons | |
info:eu-repo/semantics/lecture | |
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