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Originalsprache | Englisch |
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Publikationsstatus | Elektronisch veröffentlicht (E-Pub) - 23 Mai 2016 |
Abstract
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TY - UNPB
T1 - Nuclear motion is classical
AU - Frank, Irmgard
N1 - 3 pages, 1 figure
PY - 2016/5/23
Y1 - 2016/5/23
N2 - The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.
AB - The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.
KW - physics.chem-ph
M3 - Preprint
BT - Nuclear motion is classical
ER -