Journal Article

Semiclassical Methods in Chemical Physics

Miller, William H.

1986

Overview

Semiclassical theory finds use in chemical physics both as a computational method and as a conceptual framework for interpreting quantum features in experiments and in numerical quantum calculations. The semiclassical description of one-dimensional dynamical systems is essentially a solved problem for eigenvalue and scattering situations and for general topologies of potential functions (simple potential wells, multiple wells, multiple barriers, and so forth). Considerable progress has also been made in generalizing semiclassical theory to multidimensional dynamical systems (such as inelastic and reactive scattering of atoms and molecules and vibrational energy levels of polyatomic molecules), and here, too, it provides a useful picture of quantum features (interference in product state distribution, generalized tunneling phenomena, and others) in these more complex systems.

• Publisher: The American Association for the Advancement of Science,American Association for the Advancement of Science
• Subject: Approximation / Atomic and molecular collision processes and interactions / Atomic and molecular physics / Atoms / Chemistry / Chemistry, Physical and theoretical / Degrees of freedom / Elastic scattering / Exact sciences and technology / General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.) / Mathematics / Physical chemistry / Physics / Potential energy / Quantum chemistry / Quantum mechanics / Quantum numbers / Quantum tunneling / Scattering (Physics) / Trajectories