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Evento 

Título:
Klaus Capelle: Density functionals beyond LDA
quando:
03.11.2011 11.00 h
onde:
Matéria Condensada Teórica - Niterói
Categoria:
Seminários

Descrição

Density functionals beyond LDA: where to go and why?

Klaus Capelle (UFABC)


Computational methods based on density-functional theory are pervading most of solid-state physics and quantum chemistry. The simplest approximation that makes quantum mechanical calculations for real systems possible is the local-density approximation (LDA). However, this approximation is insufficient for many applications, ranging from strongly correlated solids to weakly bound molecules. In this talk a pedagogical overview of available improvements on LDA is combined with a more detailed look at a few improvements recently developed by us. (O seminário será ministrado em português.)

Grupo

Grupo:
Matéria Condensada Teórica
Rua:
IF-UFF
CEP:
24210-346
Cidade:
Niterói
UF:
RJ
País:
País: br

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