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Title: On the piecewise convex or concave nature of ground state energy as a function of fractional number of electrons for approximate density functionals

Authors:
ORCiD logo [1] ;  [2]
  1. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA
  2. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA, Key Laboratory of Theoretical Chemistry of Environment, School of Chemistry and Environment, South China Normal University, Guangzhou 510006, China
Publication Date:
Grant/Contract Number:
SC0012575
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 7; Related Information: CHORUS Timestamp: 2018-02-14 11:46:33; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1361757