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-...
Main Authors: | Zhu, Tianyu, de Silva, Piotr, van Aggelen, Helen, Van Voorhis, Troy |
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Other Authors: | Massachusetts Institute of Technology. Department of Chemistry |
Format: | Article |
Language: | English |
Published: |
American Physical Society
2016
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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 |
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