Nonlocal van der Waals density functional: The simpler the better

We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The new functional is considerably simpler than its predecessors of a similar type. The functional has a tractable and robust...

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Bibliographic Details
Main Authors: Vydrov, Oleg A., Van Voorhis, Troy
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Institute of Physics 2012
Online Access:http://hdl.handle.net/1721.1/69650
https://orcid.org/0000-0001-7111-0176