Combining Linear-Scaling DFT with Subsystem DFT in Born–Oppenheimer and Ehrenfest Molecular Dynamics Simulations: From Molecules to a Virus in Solution

标题
Combining Linear-Scaling DFT with Subsystem DFT in Born–Oppenheimer and Ehrenfest Molecular Dynamics Simulations: From Molecules to a Virus in Solution
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 7, Pages 3214-3227
出版商
American Chemical Society (ACS)
发表日期
2016-06-01
DOI
10.1021/acs.jctc.6b00398

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