Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms
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Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2015
Major/Subject
Mcode
Degree programme
Language
en
Pages
31463-31471
Series
Physical Chemistry Chemical Physics, Volume 17, issue 47
Description
Keywords
Functionals transferability, Orbital-free density functional theory, Thomas-Fermi-Dirac-Weizsacker density functional
Citation
Espinosa Leal , L A , Karpenko , A , Caro , M A & Lopez-Acevedo , O 2015 , ' Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms ' , Physical Chemistry Chemical Physics , vol. 17 , no. 47 , pp. 31463-31471 . https://doi.org/10.1039/c5cp01211b
