Download Advances in Chemical Physics Vol. 130 - Part B: Geometrical by Mikito Toda, Tamiki Komatsuzaki, Tetsuro Konishi, Stephen PDF
By Mikito Toda, Tamiki Komatsuzaki, Tetsuro Konishi, Stephen Berry
Read Online or Download Advances in Chemical Physics Vol. 130 - Part B: Geometrical Structures of Phase Space In Multi-dimensional Chaos: Applications To Chemical Reaction Dynamics In Complex Systems PDF
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Extra resources for Advances in Chemical Physics Vol. 130 - Part B: Geometrical Structures of Phase Space In Multi-dimensional Chaos: Applications To Chemical Reaction Dynamics In Complex Systems
Sample text
The power spectra of Ar3, shown in Fig. 44 K). From sharp, distinct vibrations, the system has transformed to one with a continuous spectrum of available classical energies. 19 K (Fig. 2c), the system vibrates through a region in which the modes are ‘‘softer’’ than at the bottom of the potential, but the three modes are clear and distinguishable. 44 K in (Fig. 2d), the system no longer has clearly separated modes, but it does not have enough energy to pass over the linear saddle. 54 K in (Fig. 2e) can it pass through that saddle, a phenomenon revealed by the density of very low-frequency modes at this and higher energies.
Chem. Phys. 89, 1681 (1988). ] atomic clusters: powerful tools to probe complex dynamics 7 with seven or more atoms, might be expected to show a sharper kind of change of behavior because they show clear transitions from solid-like to liquid-like behavior. By contrast, the only faintly comparable behavior of the equilateraltriangular Ar3 is its passage over the potential energy saddle at its linear configuration. However, something interesting does happen there that has led to new insights. The power spectra of Ar3, shown in Fig.
Microcanonical Temperature and an Arrhenius Relation with the Lifetime of Isomers A. Another Law for the Average Lifetimes of Isomers B. Evaluation of Classical Density of States C. Microcanonical Temperature 1. Definition 2. Local Microcanonical Temperatures 3. Numerical Observation of an Arrhenius-like Relation D. An Exponential Relation Between the Microcanonical Temperature and Average Lifetimes 1. Multiexponential Form 2. Single Exponential Form 3. Case Study on M7 in Terms of the Single Exponential Form Appendix B: On Ergodicity and Nonergodicity of the Liquid-like Dynamics Appendix C: Canonical Temperature VI.