Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case-Reference-Cited by-同舟云学术

Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case

Published:2017-07-14 Issue:2 Volume:147 Page:024106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Pueyo Bellafont Noèlia¹,Bagus Paul S.²^ORCID,Sousa Carmen¹^ORCID,Illas Francesc¹^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & 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

Generalitat de Catalunya (Government of Catalonia)

U.S. Department of Energy (DOE)

Ministerio de Economía y Competitividad (MINECO)

Institució Catalana de Recerca i Estudis Avançats (ICREA)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4991833

Reference48 articles.

1. Atomic-level characterization of materials with core- and valence-level photoemission: basic phenomena and future directions

2. C. S. Fadley, in Electron Spectroscopy: Theory, Techniques and Applications, edited by C. R. Brundle and A. D. Baker (Academic Press, 1978), Vol. 2, p. 2.

3. Core-level binding-energy shifts at surfaces and in solids

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