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Title: Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U

Authors:
 [1] ; ORCiD logo [1]
  1. Department of Chemical Engineering and ‡Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Publication Date:
Grant/Contract Number:
SC0018096
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 14; Journal Issue: 2; Related Information: CHORUS Timestamp: 2018-02-13 04:15:15; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1418190