Search Results - "empirical potentials"

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    Defect properties of albite: a combined empirical potential and density functional theory study

    Defect properties of albite: a combined empirical potential and density functional theory study by Lowitzer, S., Wilson, D., Winkler, B., Milman, V., Gale, Julian

    Published 2008
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    Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)

    Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100) by Skomurski, F., Ewing, R., Rohl, Andrew, Gale, Julian, Becker, U.

    Published 2006
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