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Title: Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies

Authors:
 [1] ;  [2] ;  [1]
  1. Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain
  2. Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA
Publication Date:
OSTI Identifier:
1228623
Grant/Contract Number:
FG02-04ER15508
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English