Record link: 
http://hdl.handle.net/20.500.12708/146796
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Title: 
On the importance of local orbitals using second energy derivatives for 𝑑 and 𝑓 electrons
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Citation: 
Karsai, F., Tran, F., & Blaha, P. (2017). On the importance of local orbitals using second energy derivatives for 𝑑 and 𝑓 electrons. Computer Physics Communications, 220, 230–238. https://doi.org/10.1016/j.cpc.2017.07.008
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Publisher DOI: 
10.1016/j.cpc.2017.07.008
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Publication Type: 
Article - Original Research Article
en
Language: 
English
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Authors: 
Karsai, Ferenc 
Tran, Fabien 
Blaha, Peter 
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Organisational Unit: 
E165-03 - Forschungsbereich Theoretische Chemie 
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Journal: 
Computer Physics Communications 
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ISSN: 
0010-4655
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Date (published): 
Nov-2017
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Number of Pages: 
9
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Publisher: 
ELSEVIER
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Peer reviewed: 
Yes
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Keywords: 
Hardware and Architecture; General Physics and Astronomy
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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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