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Theoretical Chemistry Accounts

Using classical mechanics in a quantum framework. Perspective on "Semiclassical description of scattering"

William Hughes Miller

Published Feb 9, 2000• 0 citations
Publisher
DOI
10.1007/s002140050023

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We present a detailed study of scattering by an amplitude-modulated potential barrier using three distinct physical frameworks: quantum, classical, and semiclassical. Classical physics gives bounds on the energy and momentum of the scattered particle, while also providing the foundation for semiclassical theory. We use the semiclassical approach to selectively add quantum-mechanical effects such as interference and diffraction. We find good agreement between the quantum and semiclassical momentum distributions. Our methods and results can be used to understand quantum and classical aspects of transport mechanisms involving time-varying potentials, such as quantum pumping.
This work explores the quantum propagator K(x,t)K(x,t)K(x,t) as a solution of the system's dynamical equation. We develop a generalized propagator framework in which the propagator is written in the form K=exp⁡ ⁣(R+iℏS)K=\exp\!\left(R+\frac{i}{\hbar}S\right)K=exp(R+ℏi​S), where SSS governs the semiclassical phase structure and RRR governs the amplitude transport and weighting of configurations. Starting from nonrelativistic quantum mechanics, the classical Hamilton--Jacobi equation emerges in the semiclassical limit, while RRR reduces to the logarithm of the Van Vleck determinant. The formalism is then extended to relativistic field theory and minisuperspace quantum cosmology using functional methods and generalized Hamiltonian constraints. Then the resulting semiclassical equations recover the corresponding classical dynamics along characteristic flows. In minisuperspace models, the formalism yields coupled equations for geometric and matter sectors analogous to semiclassical Wheeler--DeWitt systems. In semiclassical gravitational settings, the gravitational contribution may admit an entropy-like interpretation, consistent with thermodynamic weighting factors appearing in Euclidean gravitational path integrals. The resulting framework suggests a unified semiclassical description in which propagator phases encode dynamical evolution while amplitude functionals encode transport and configuration weighting. This perspective motivates viewing mechanics as a relation between the differential structure of spacetime and the differential structure of the space of dynamical configurations.