Quantum-classical mechanics as an alternative to quantum mechanics in molecular and chemical physics.

ABSTRACT: In quantum mechanics, the theory of quantum transitions is grounded on the convergence of a series of time-dependent perturbation theory. In nuclear and atomic physics, this series converges because the dynamics of quantum transitions (quantum jumps) are absent by definition. In molecular and chemical physics, on the contrary, the dynamics of "quantum" transitions, being determined by the joint motion of a light electron (or electrons) and very heavy nuclei, are present by definition, and the series of time-dependent perturbation theory becomes singular. An exception is the dynamic problem for stationary states in the Born-Oppenheimer adiabatic approximation, when the electronic subsystem turns out to be "off" from the general dynamic process and therefore is not dynamically full-fledged:

SUBMITTER: Egorov VV 

PROVIDER: S-EPMC6909101 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature