Quantum intramolecular dynamics: Criteria for stochastic and nonstochastic flow

Publisher Website
Google Scholar
Abstract
This paper proposes new criteria by which to gauge the extent of quantum intramolecular randomization in isolated molecules. Several hallmarks of stochastic and nonstochastic behavior are identified, some of which are readily available from spectral data. We find that it is very important to tailor the criteria to the specific experimental situation, with the consequence that a given molecule can be labeled both stochastic and nonstochastic, even in the same general energy regime, depending on the experiment. This unsettling feature arises as a quantum analog of the necessity, in classical mechanics, of specifying the a priori known integrals of the motion before ergodic or stochastic behavior can be defined. In quantum mechanics, it is not possible to have flow or measure local properties (analog of trajectories and phase space measure) without some uncertainty in the integrals of the motion (most often the energy). This paper addresses the problems this creates for the definition of stochastic flow. Several systems are discussed which show significant differences in their quantum vs classical stochastic properties.