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Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma
J. Daniel Gezelter and William H. Miller
Department of Chemistry, University of California, Berkeley, CA 94720
The authors 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 constraints 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).
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Unfortunately, this paper is not available in an electronic format. It can be read in it's entirety in Chemical Physics Letters volume 193, page 512 (1992). |