Large-Scale Molecular Dynamics Simulation for Ground and...

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Journal of Chemical Theory and Computation 2020 / 02

Large-Scale Molecular Dynamics Simulation for Ground and Excited States based on Divide-and-Conquer Long-Range Corrected Density Functional Tight-Binding Method

Komoto, Nana, Yoshikawa, Takeshi, Nishimura, Yoshifumi, Nakai, Hiromi
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01268
Date:
February, 2020
File:
PDF, 2.14 MB
english, 2020
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