It's the Zero Point Vibrational Energy.
If you imagine a harmonic potential energy surface, it represents the difference
between the bottom of the surface and the first (quantified) vibrational energy
state.
Best
Jerome
Selon ondrej.prenosil.marge.uochb.cas.cz:
> Hello Amber people,
>
> my question is very simple - what units is ZPVE (from nmode) calculated in?
> Thanks a lot!
> Have a nice day.
>
> Andrew
>
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--
Jérôme Golebiowski, Ph D. HDR, Asst. Pr.
LCMBA
UMR 6001 CNRS - University of Nice Sophia Antipolis
Molecular Modeling Team
06108 Nice cedex 2, France
tel: +33 (0)4 92 07 61 03
http://www.unice.fr/lcmba
http://www.unice.fr/lcmba/golebiowski
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Received on Wed Sep 02 2009 - 23:05:14 PDT
