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The zero-point energy problem in classical trajectory simulations at dissociation threshold

McCormack, Drew A. and Lim, Kieran F. 1997, The zero-point energy problem in classical trajectory simulations at dissociation threshold, Journal of chemical physics, vol. 106, no. 2, pp. 572-574, doi: 10.1063/1.473396.

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Title The zero-point energy problem in classical trajectory simulations at dissociation threshold
Author(s) McCormack, Drew A.
Lim, Kieran F.ORCID iD for Lim, Kieran F. orcid.org/0000-0001-5355-8030
Journal name Journal of chemical physics
Volume number 106
Issue number 2
Start page 572
End page 574
Total pages 3
Publisher AIP Publishing
Place of publication Melville, N.Y.
Publication date 1997
ISSN 1089-7690
Keyword(s) molecular dynamics (MD)
ZPE preservation
constrained mechanics
Hénon-Heiles system
trajectory projection onto ZPE (TRAPZ) method
quasiclassical trajectory (QCT)
water dissociation
zero-point energy (ZPE)
Language eng
DOI 10.1063/1.473396
Field of Research 02 Physical Sciences
03 Chemical Sciences
09 Engineering
HERDC Research category CN.1 Other journal article
Copyright notice ©[1997, AIP Publishing]
Free to Read? Yes
Persistent URL http://hdl.handle.net/10536/DRO/DU:30076144

Document type: Journal Article
Collections: School of Life and Environmental Sciences
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Every reasonable effort has been made to ensure that permission has been obtained for items included in DRO. If you believe that your rights have been infringed by this repository, please contact drosupport@deakin.edu.au.