Accurate description of nuclear quantum effects with...

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Journal of Chemical Theory and Computation 2020 / 01

Accurate description of nuclear quantum effects with high-order perturbed path integrals (HOPPI)

Poltavsky, Igor, Kapil, Venkat, Ceriotti, Michele, Kim, Kwang S., Tkatchenko, Alexandre
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00881
Date:
January, 2020
File:
PDF, 2.75 MB
english, 2020
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