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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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Appears in Collections:
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