Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments - researchr publication

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Andrés Jaramillo-Botero, Julius Su, An Qi, William A. Goddard III. Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments. Journal of Computational Chemistry, 32(3):497-512, 2011. [doi]

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