๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

โœ Scribed by Miller, William H.; Hase, William L.; Darling, Cynthia L.


Book ID
120225520
Publisher
American Institute of Physics
Year
1989
Tongue
English
Weight
724 KB
Volume
91
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


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

A novel non-active model to account for
โœ A.J.C. Varandas ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 971 KB

A novel non-active model to correct for the leak of zero-point energy in quasi-classical trajectory calculations is proposed. It consists of eliminating every trajectory that fails to satisfy the zero-point energy requirement of quantum mechanics at the end of the trajectory, and then correct the re