Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations - researchr publication

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Gaigong Zhang, Lin Lin, Wei Hu, Chao Yang, John E. Pask. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations. J. Comput. Physics, 335:426-443, 2017. [doi]

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