Record link: 
http://hdl.handle.net/20.500.12708/203808
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Title: 
Comparative study of repulsive interatomic potentials from different levels of quantum chemical calculations
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Citation: 
Nordlund, K., Lehtola, S., & Hobler, G. (2024, June 20). Comparative study of repulsive interatomic potentials from different levels of quantum chemical calculations [Conference Presentation]. 16th international conference on computer simulation of radiation effects in solids (COSIRES 2024), Kingston, Canada.
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Publication Type: 
Presentation - Conference Presentation
en
Language: 
English
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Authors: 
Nordlund, Kai 
Lehtola, Susi 
Hobler, Gerhard 
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Organisational Unit: 
E362-02 - Forschungsbereich Nanoelektronische Bauelemente 
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Date (published): 
20-Jun-2024
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Event name: 
16th international conference on computer simulation of radiation effects in solids (COSIRES 2024) 
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Event date: 
16-Jun-2024 - 21-Jun-2024
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Event place: 
Kingston, Canada
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Keywords: 
interatomic potential; quantum chemical calculations; Hartree-Fock; DFT; ZBL potential
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Research Areas: 
Quantum Modeling and Simulation: 100%
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Science Branch: 
2020 - Elektrotechnik, Elektronik, Informationstechnik: 100%
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