Record link: 
http://hdl.handle.net/20.500.12708/137825
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Title: 
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
en
Citation: 
Tran, F., Doumont, J., Kalantari, L., Blaha, P., Rauch, T., Borlido, P., Botti, S., Marques, M. A. L., Patra, A., Jana, S., & Samal, P. (2021). Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals. Journal of Chemical Physics, 155(10), 104103. https://doi.org/10.1063/5.0059036
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Publisher DOI: 
10.1063/5.0059036
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Publication Type: 
Article - Original Research Article
en
Language: 
English
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Authors: 
Tran, Fabien 
Doumont, Jan 
Kalantari, Leila 
Blaha, Peter 
Rauch, Thomas 
Borlido, Pedro 
Botti, Silvana 
Marques, Miguel A. L. 
Patra, Abhilash 
Jana, Subrata 
Samal, Prasanjit 
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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 Physics 
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ISSN: 
0021-9606
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Date (published): 
2021
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Number of Pages: 
9
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Publisher: 
AMER INST PHYSICS
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Peer reviewed: 
Yes
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Keywords: 
General Physics and Astronomy; Physical and Theoretical Chemistry
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Research Areas: 
Materials Characterization: 40%
Quantum Modelling and Simulation: 20%
Computational Materials Science: 40%
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Science Branch: 
Chemie
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