Subsystem functionals and the missing ingredient of confinement physics in density functionals

The subsystem functional scheme is a promising approach recently proposed for constructing exchange-correlation density functionals. In this scheme, the physics in each part of real materials is described by mapping to a characteristic model system. The “confinement physics,” an essential physical i...

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Bibliographic Details
Main Authors: Hao, Feng, Armiento, Rickard R., Mattsson, Ann E.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2011
Online Access:http://hdl.handle.net/1721.1/60395
https://orcid.org/0000-0002-5571-0814