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Title: Limitations of the equivalent core model for understanding core-level spectroscopies

Abstract

Differences when the ionized, blue, atom is represented with a core-hole or with a Z + 1 equivalent core are explored.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [2]
  1. Department of Chemistry, University of North Texas, Denton, USA
  2. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, 08028 Barcelona, Spain
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1670219
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 39; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Bagus, Paul S., Sousa, Carmen, and Illas, Francesc. Limitations of the equivalent core model for understanding core-level spectroscopies. United Kingdom: N. p., 2020. Web. https://doi.org/10.1039/D0CP03569F.
Bagus, Paul S., Sousa, Carmen, & Illas, Francesc. Limitations of the equivalent core model for understanding core-level spectroscopies. United Kingdom. https://doi.org/10.1039/D0CP03569F
Bagus, Paul S., Sousa, Carmen, and Illas, Francesc. Thu . "Limitations of the equivalent core model for understanding core-level spectroscopies". United Kingdom. https://doi.org/10.1039/D0CP03569F.
@article{osti_1670219,
title = {Limitations of the equivalent core model for understanding core-level spectroscopies},
author = {Bagus, Paul S. and Sousa, Carmen and Illas, Francesc},
abstractNote = {Differences when the ionized, blue, atom is represented with a core-hole or with a Z + 1 equivalent core are explored.},
doi = {10.1039/D0CP03569F},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 39,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {10}
}

Journal Article:
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