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Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications

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45609 jctcce2016_2_466_476.pdf (1.45 MB)

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2016

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10.1021/acs.jctc.5b00969

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American Chemical Society
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Kolesov, Grigory, Oscar Grånäs, Robert Hoyt, Dmitry Vinichenko, and Efthimios Kaxiras. 2015. “Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications.” Journal of Chemical Theory and Computation 12 (2): 466–76. https://doi.org/10.1021/acs.jctc.5b00969.

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http://nrs.harvard.edu/urn-3:HUL.InstRepos:41384036

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