Some problems of correcting the zero-point energy problem in classical trajectories

✍ Scribed by Thomas D. Sewell; Donald L. Thompson; J.Daniel Gezelter; William H. Miller

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 508 KB
• Volume: 193
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)85841-w

✦ Synopsis

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 physically undesirable effects in the dynamics, e.g., changing quasiperiodic motion (characterized by a few discrete frequencies) into chaotic motion (characterized by a continuous distribution of frequencies).