Many-electron expansion: A density functional hierarchy for strongly correlated systems

Density functional theory (DFT) is the de facto method for the electronic structure of weakly correlated systems. But for strongly correlated materials, common density functional approximations break down. Here, we derive a many-electron expansion (MEE) in DFT that accounts for successive one-, two-...

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Bibliographic Details
Main Authors: Zhu, Tianyu, de Silva, Piotr, van Aggelen, Helen, Van Voorhis, Troy
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:English
Published: American Physical Society 2016
Online Access:http://hdl.handle.net/1721.1/103119
https://orcid.org/0000-0003-2061-3237
https://orcid.org/0000-0002-4985-7350
https://orcid.org/0000-0001-7111-0176