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-Reference-Cited by-同舟云学术

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

Published:2015-06-02 Issue:21 Volume:142 Page:214102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Pueyo Bellafont Noèlia¹,Bagus Paul S.²,Illas Francesc¹^ORCID

Affiliation:

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

Funder

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya (Department of Innovation, Education and Enterprise, Government of Catalonia)

Ministerio de Economía y Competitividad (Ministry of Economy and Competitiveness)

U.S. Department of Energy (Department of Energy)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4921823

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