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Event 

Title:
Klaus Capelle: Density functionals beyond LDA
When:
03.11.2011 11.00 h
Where:
Matéria Condensada Teórica - Niterói
Categoría:
Seminários

Description

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.)

Venue

Grupo:
Matéria Condensada Teórica
Street:
IF-UFF
ZIP:
24210-346
City:
Niterói
State:
RJ
Country:
Country: br

Description

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