Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
Semiclassical Quantization Of A Nonintegrable System: Pushing The Fourier Method Into The Chaotic Regime, Karl Sohlberg, Randall B. Shirts
Semiclassical Quantization Of A Nonintegrable System: Pushing The Fourier Method Into The Chaotic Regime, Karl Sohlberg, Randall B. Shirts
Faculty Publications
Semiclassical Einstein–Brillouin–Keller (EBK) quantization of the nonintegrable Hénon–Heiles Hamiltonian succeeds using the Fourier transform method of Martens and Ezra. Two innovations are required for this success: (1) the use of tunneling corrected quantizing actions obtained from an approximate, one-dimensional Hamiltonian and (2) exploitation of intermediate-time approximate quasiperiodicity or "vague tori'' wherein the Fourier transform of chaotic motion over 10–100 vibrational periods allows the determination of frequencies and amplitudes which approximate motion during the time interval. Approximate tori, actions, and EBK energy levels are then straightforward. We use an interpolation method to smooth over small resonance zones that are not expected …
The Structure And Dynamics Of The Cs2 Molecular Ion, Karl Sohlberg, Chan Yibai
The Structure And Dynamics Of The Cs2 Molecular Ion, Karl Sohlberg, Chan Yibai
Faculty Publications
Several common elementary methods of computing molecular properties, prerequisite to molecular dynamics studies, are tested for their validity for CS+2. Judged sufficiently accurate, these methods are then used to aid in investigating the collisionally activated dissociation of CS+2 upon impact with xenon. Rice–Ramsperger–Kassel–Marcus (RRKM) unimolecular decay rate calculations are presented and compared to experimental studies employing collisional activation. RRKM theory is shown to reproduce the experimental results for collision energies near threshold. When corrected for vibrational anharmonicity, the RRKM calculation shows agreement with the experimental results over a slightly wider range of energies. A discussion is given on the applicability …