Optimizing a parametrized Thomas-Fermi-Dirac-Weizsacker density functional for atoms
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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2015
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en
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Physical Chemistry Chemical Physics, Volume 17, issue 47, pp. 31463-31471
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Functionals transferability, Orbital-free density functional theory, Thomas-Fermi-Dirac-Weizsacker density functional
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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