JuNoLo – Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy

Nowadays the state of the art Density Functional Theory (DFT) codes are based on local (LDA) or semilocal (GGA) energy functionals. Recently the theory of a truly nonlocal energy functional has been developed. It has been used mostly as a post-DFT calculation approach, i.e. by applying the functiona...

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Bibliographic Details

Published in:	Computer physics communications Vol. 181; no. 2; pp. 371 - 379
Main Authors:	Lazić, Predrag, Atodiresei, Nicolae, Alaei, Mojtaba, Caciuc, Vasile, Blügel, Stefan, Brako, Radovan
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.02.2010
Subjects:	Density functional theory Electronic structure Nonlocal correlation Van der Waals interaction Electronic structure 71.15.Mb Van der Waals interaction 71.45.Gm Density functional theory 71.15.-m Nonlocal correlation
ISSN:	0010-4655, 1879-2944
Online Access:	Get full text
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