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On the zero point energy in classical trajectory computations

โœ Scribed by Ben-Nun, M.; Levine, R. D.


Book ID
120186412
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
394 KB
Volume
105
Category
Article
ISSN
0021-9606

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Some problems of correcting the zero-poi
โœ Thomas D. Sewell; Donald L. Thompson; J.Daniel Gezelter; William H. Miller ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 508 KB

We have examined the effects on the fundamental behavior of the dynamics of applying constraints to control the aphysical flow of zero-point energy in classical trajectories of molecular systems. Test calculations on the popular Henon-Heiles potential surface show that these costraints can induce ph