Search Results - "First-principles calculations"

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  1. 1
    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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    Linear-scaling techniques for first principles calculations of stationary and dynamic systems

    Linear-scaling techniques for first principles calculations of stationary and dynamic systems by Cankurtaran, Burak O.

    Published 2010
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