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SIAM Review

Semiclassical Mechanics

Joseph Bishop Keller

Published Dec 1, 1985• 68 citations
Publisher

Abstract

Classical mechanics and the quantum conditions of Planck, Bohr, Sommerfeld, Wilson and Einstein are presented. The virtues and defects of this “old quantum theory” are pointed out. Its replacement by quantum mechanics is described, leading to the Schrödinger equation for the wave function and the corresponding energy eigenvalues. For separable systems, the reduction of this equation to ordinary differential equations and their asymptotic solution by the WKB method are described, as well as the resulting corrected quantum conditions with integer or half-integer quantum numbers. For nonseparable systems, the analogous asymptotic solution constructed by the author is described, together with the corrected quantum conditions to which it leads. Examples of the use of these conditions in the solution of eigenvalue problems are presented. It is explained that difficulties arise in using this method when the classical motion is stochastic or chaotic. Suggestions for overcoming these difficulties are mentioned.

DOI
10.1137/1027139

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Classical mechanics and the quantum conditions of Planck, Bohr, Sommerfeld, Wilson and Einstein are presented. The virtues and defects of this “old quantum theory” are pointed out. Its replacement by quantum mechanics is described, leading to the Schrödinger equation for the wave function and the corresponding energy eigenvalues. For separable systems, the reduction of this equation to ordinary differential equations and their asymptotic solution by the WKB method are described, as well as the resulting corrected quantum conditions with integer or half-integer quantum numbers. For nonseparable systems, the analogous asymptotic solution constructed by the author is described, together with the corrected quantum conditions to which it leads. Examples of the use of these conditions in the solution of eigenvalue problems are presented. It is explained that difficulties arise in using this method when the classical motion is stochastic or chaotic. Suggestions for overcoming these difficulties are mentioned.
The use of classical mechanical analogs for quantum behavior holds a long and proud tradition in the development and application of quantum theory. In Bohr’s original formulation of quantum mechanics to explain the spectra of the hydrogen atom, Bohr used purely classical mechanical notions of angular momentum and rotation for the basic theory and imposed a quantization condition that the angular momentum should come in integer multiples of h¯. Bohr worked under the assumption that at some point the laws of quantum mechanics that govern atoms and molecules should correspond to the classical mechanical laws of ordinary objects like rocks and stones. Bohr’s Principle of Correspondence states that quantum mechanics is not completely separate from classical mechanics; rather, it incorporates classical theory.
We review Bohr's atomic model and its extension by Sommerfeld from a mathematical perspective of wave mechanics.The derivation of quantization rules and energy levels is revisited using semiclassical methods.Sommerfeld-type integrals are evaluated by elementary techniques, and connections with the Schr odinger and Dirac equations are established.Historical developments and key transitions from classical to quantum theory are discussed to clarify the structure and significance of the old quantum mechanics.
In 1926, Schrödinger [365] recognized that the variational theory of elliptical differential equations with fixed boundary conditions could produce a discrete eigenvalue spectrum in agreement with the energy levels of Bohr's model of the hydrogen atom. This conceptually startling amalgam of classical ideas of particle and field turned out to be correct. Within a few years, the new wave mechanics almost completely replaced the ad hoc quantization of classical mechanics that characterized the “old” quantum theory initiated by Bohr. Although the matrix mechanics of Heisenberg was soon shown to be logically equivalent, the variational wave theory became the standard basis of methodology in the physics of electrons. The nonrelativistic Schrödinger theory is readily extended to systems of N interacting electrons. The variational theory of finite N -electron systems (atoms and molecules) is presented here. In this context, several important theorems that follow from the variational formalism are also derived.
The basic equation of quantum mechanics is the Schrödinger equation which expresses the wave function Ψ of a quantum system as an eigenfunction of a quantized Hamiltonian operator H : HΨ = λΨ where the (real) eigenvalue λ is the quantum energy of the system in the state Ψ see equations (1.3.2), (1.3.4). Embodied already in this equation is the basic quantum mechanical principle that quantum energies cannot take on arbitrary values but are quantized : they are given by a discrete set of eigenvalues of a suitable second-order differential operator. This mathematical phenomenon of the discreteness of eigenvalues explains, for example, the observed discreteness of absorption and emission atomic spectral lines; compare remarks in Sections 1.2 and 1.3 of Chapter 1. The Schrödinger theory, and the equivalent theory of Heisenberg, Born and Jordan, represents a distinct advancement of the Bohr theory. Some early basic papers on quantum mechanics are compiled in the book [82], which includes a historic introduction by B. van der Waerden. Also see [6, 8, 9, 24, 75, 76]. These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
A semiclassical approximation is derived by using a family of wavepackets to map arbitrary wavefunctions into phase space. If the Hamiltonian can be approximated as linear over each individual wavepacket, as often done when presenting Ehrenfest's theorem, the resulting approximation is a linear first-order partial differential equation on phase space, which will be referred to as the Schrödinger-Ehrenfest or SE equation. This advectively transports wavefunctions along classical trajectories, so that as a trajectory is followed in time the amplitude remains constant while the phase changes by the action divided by ℏ\hbarℏ. The wavefunction's squared-magnitude is a plausible phase space density and obeys Liouville's equation for the classical time evolution. This is a derivation of the Koopman-von~Neumann (KvN) formulation of classical mechanics, which previously was postulated but not derived. With the time-independent SE equation, continuity of the wavefunction requires the change of phase around any closed path in the torus covered by a classical trajectory to be an integer multiple of 2π2π2π, giving a standing wave picture of old quantum mechanics. While this applies to any system, for separable systems it gives Bohr-Sommerfeld quantization.
Striking parallelism between classical mechanics and quantum mechanics is evidenced for several bound system in a rather general form by introducing reasonably “quantum-mechanical momentum” from the Schrödinger equation. The following are proved: The “quantum-mechanical momentum” which is nearly equal to the corresponding classical momentum in “classical region” can be defined in the whole range of validity of the coordinate for the bound systems. In the same way as in classical mechanics, in quantum mechanics one can construct an associated wave accompanying a motion of a quantum particle and obeying the Schrödinger equation. The uniqueness condition on the associated wave throughout an orbit leads to the boundary condition on the wave function which is composed of the associated wave and to “quantum-mechanical quantization condition”, equivalently. In addition, all these quantum-mechanical quantities are approximately equal to the corresponding classical ones in the “classical region” of the coordinate. In particular it is demonstrated that even for a bound system of a singular (central) potential exists the ground state with the lowest energy eigenvalue. It is proved in one dimension that to any physical system obeying the Schrödinger equation always exists the corresponding classical system.