Record link: 
http://hdl.handle.net/20.500.12708/140762
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Title: 
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids
en
Citation: 
Borlido, P., Doumont, J., Tran, F., Marques, M. A. L., & Botti, S. (2020). Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids. Journal of Chemical Theory and Computation, 16(6), 3620–3627. https://doi.org/10.1021/acs.jctc.0c00214
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Publisher DOI: 
10.1021/acs.jctc.0c00214
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Publication Type: 
Artikel - Original Research Article
de
 
Article - Original Research Article
en
Language: 
English
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Authors: 
Borlido, Pedro 
Doumont, Jan 
Tran, Fabien 
Marques, Miguel A. L. 
Botti, Silvana 
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Organisational Unit: 
E165-03 - Forschungsbereich Theoretische Chemie 
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k 
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Journal: 
Journal of Chemical Theory and Computation 
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ISSN: 
1549-9618
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Date (published): 
2020
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Number of Pages: 
8
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Peer reviewed: 
Yes
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Keywords: 
Computer Science Applications; Physical and Theoretical Chemistry
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Research Areas: 
Computational Materials Science: 40%
Quantum Modelling and Simulation: 20%
Materials Characterization: 40%
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Science Branch: 
Chemie
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