Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium
Author:
Affiliation:
1. Department of Nuclear Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, South Korea
Funder
Seoul National University
Korea Institute of Science and Technology Information
National Research Foundation of Korea
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5017198
Reference42 articles.
1. Generation-IV nuclear power: A review of the state of the science
2. Breeding blanket concepts for fusion and materials requirements
3. Review of blanket designs for advanced fusion reactors
4. Ab initiomolecular dynamics study of the properties of cerium in liquid sodium at 1000 K temperature
5. Chemical states of 3d transition metal impurities in a liquid lead–bismuth eutectic analyzed using first principles calculations
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