The conservation of quantum zero-point energies in classical trajectory simulations

Lim, Kieran F. and McCormack, Drew A. 1995, The conservation of quantum zero-point energies in classical trajectory simulations, Journal of chemical physics, vol. 102, no. 4, pp. 1705-1715, doi: 10.1063/1.468697.

Attached Files
Name Description MIMEType Size Downloads

Title The conservation of quantum zero-point energies in classical trajectory simulations
Author(s) Lim, Kieran F.ORCID iD for Lim, Kieran F. orcid.org/0000-0001-5355-8030
McCormack, Drew A.
Journal name Journal of chemical physics
Volume number 102
Issue number 4
Start page 1705
End page 1715
Total pages 11
Publisher AIP Publishing
Place of publication Melville, N.Y.
Publication date 1995-01-22
ISSN 0021-9606
1089-7690
Keyword(s) trajectory models
computational methods
molecular dynamics (MD)
ZPE preservation
constrained mechanics
Hénon-Heiles system
trajectory projection onto ZPE (TRAPZ) method
zero-point energy (ZPE)
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
MOLECULAR-DYNAMICS
VIBRATIONAL-ENERGY
MECHANICS
BENZENE
ALGORITHM
ALKANES
MOTION
FLOW
Language eng
DOI 10.1063/1.468697
Field of Research 02 Physical Sciences
03 Chemical Sciences
09 Engineering
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©1995, AIP
Persistent URL http://hdl.handle.net/10536/DRO/DU:30076152

Document type: Journal Article
Collection: School of Life and Environmental Sciences
Connect to link resolver
 
Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved.

Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 46 times in TR Web of Science
Scopus Citation Count Cited 44 times in Scopus
Google Scholar Search Google Scholar
Access Statistics: 63 Abstract Views, 0 File Downloads  -  Detailed Statistics
Created: Fri, 21 Aug 2015, 11:47:37 EST

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.