Open AccessNuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water
Author(s) -
Dénes Berta,
Dávid Ferenc,
Imre Bakó,
Ádám Madarász
Publication year - 2020
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.9b00703
Subject(s) - molecular dynamics , quantum , harmonic oscillator , ab initio , range (aeronautics) , statistical physics , computation , quantum dynamics , physics , harmonic , quantum mechanics , materials science , computer science , algorithm , composite material
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