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:
-
[1];
[2]
- Department of Chemistry, University of North Texas, Denton, USA
- 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
- Additional Journal Information:
- Journal Name: Physical Chemistry Chemical Physics. PCCP 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. doi: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},
number = 39,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {10}
}
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https://doi.org/10.1039/D0CP03569F
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