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Reports on Progress in Physics

Semiclassical approximations in wave mechanics

Michael Berry, Keith Mount

Published Jan 1, 1972• 1,424 citations
Publisher

Abstract

We review various methods of deriving expressions for quantum-mechanical quantities in the limit when hslash is small (in comparison with the relevant classical action functions). To start with we treat one-dimensional problems and discuss the derivation of WKB connection formulae (and their reversibility), reflection coefficients, phase shifts, bound state criteria and resonance formulae, employing first the complex method in which the classical turning points are avoided, and secondly the method of comparison equations with the aid of which uniform approximations are derived, which are valid right through the turningpoint regions. The special problems associated with radial equations are also considered. Next we examine semiclassical potential scattering, both for its own sake and also as an example of the three-stage approximation method which must generally be employed when dealing with eigenfunction expansions under semiclassical conditions, when they converge very slowly. Finally, we discuss the derivation of semiclassical expressions for Green functions and energy level densities in very general cases, employing Feynman's path-integral technique and emphasizing the limitations of the results obtained. Throughout the article we stress the fact that all the expressions obtained involve quantities characterizing the families of orbits in the corresponding purely classical problems, while the analytic forms of the quantal expressions depend on the topological properties of these families. This review was completed in February 1972.

DOI
10.1088/0034-4885/35/1/306

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We review various methods of deriving expressions for quantum-mechanical quantities in the limit when hslash is small (in comparison with the relevant classical action functions). To start with we treat one-dimensional problems and discuss the derivation of WKB connection formulae (and their reversibility), reflection coefficients, phase shifts, bound state criteria and resonance formulae, employing first the complex method in which the classical turning points are avoided, and secondly the method of comparison equations with the aid of which uniform approximations are derived, which are valid right through the turningpoint regions. The special problems associated with radial equations are also considered. Next we examine semiclassical potential scattering, both for its own sake and also as an example of the three-stage approximation method which must generally be employed when dealing with eigenfunction expansions under semiclassical conditions, when they converge very slowly. Finally, we discuss the derivation of semiclassical expressions for Green functions and energy level densities in very general cases, employing Feynman's path-integral technique and emphasizing the limitations of the results obtained. Throughout the article we stress the fact that all the expressions obtained involve quantities characterizing the families of orbits in the corresponding purely classical problems, while the analytic forms of the quantal expressions depend on the topological properties of these families. This review was completed in February 1972.
We demonstrate that the Bargmann representation of quantum mechanics is ideally suited for semiclassical analysis, using as an example the WKB method applied to the bound-state problem in a single well of one degree of freedom. While the WKB expansion formulas are basically the usual ones, in this representation they describe approximations that are uniform and nonsingular in the classically allowed region of phase space because no turning points appear there. The quantization of energy levels relies on a complex contour integral that tests the eigenfunction for analyticity. For the harmonic oscillator, this WKB method trivially gives the exact eigenfunctions in addition to the exact eigenvalues. For an anharmonic well, a self-consistent variational choice of the representation greatly improves the accuracy of the semiclassical ground state. Also, a simple change of scale illuminates the relationship of semiclassical versus linear perturbative expansions, allowing a variety of multidimensional extensions. All in all, the Bargmann representation appears to combine the advantages of a linear description and of a phase-space representation of the quantum state vectors.
WKB theory provides a plausible link between classical mechanics and quantum mechanics in its semi-classical limit. Connecting the WKB wave function across the turning points in a quantum well, leads to the WKB quantization condition. In this work, I focus on some improvements and recent developments related to the WKB quantization condition. First I discuss how the combination of super-symmetric quantum mechanics and WKB, gives the SWKB quantization condition which is exact for a large class of potentials called shape invariant potentials. Next I turn to the fact that there is always a probability of refection when the potential is not constant and the phase of the wave function should account for this refection. WKB theory ignores refection except at turning points. I explain the work of Friedrich and Trost who showed that by including the correct "refection phase" at a turning point, the WKB quantization condition can be made to give exact bound state energies. Next I discuss the work of Cao and collaborators which takes refection of the wave function into account everywhere. We show that Cao's method provides a way to compute the F-T refection phase. Finally I discuss a paper of Fabre and Guery-Odelin who used the exponential potential to study the accuracy of WKB. In their results the accuracy deteriorates as the energy increases, which is inconsistent with Bohr's correspondence principle. Using the Friedrich and Trost method, we resolved this problem.
In this chapter, we present some fundamental issues about approximation methods that are often used when a quantum-mechanical system is perturbed and about the relationship between classical and quantum mechanics. In Sec. 10.1 we introduce the stationary perturbation theory, while Sec. 10.2 is devoted to time-dependent perturbations. In Sec. 10.3 we briefly examine the adiabatic theorem. In Sec. 10.4 we introduce the variation method, an approximation method that is not based on perturbation theory. In Sec. 10.5 we discuss the classical limit of the quantum-mechanical equations, whereas in Sec. 10.6 we deal with the semiclassical approximation, in particular the WKB method. On the basis of the previous approximation methods in Sec. 10.7 we present scattering theory. Finally, in Sec. 10.8 we treat a method that has a wide range of applications: the path-integral method. Stationary perturbation theory Perturbation theory is a rather general approximation method that may be applied when a small additional force (the perturbation) acts on a system (the unperturbed system), whose quantum dynamics is fully known. If the disturbance is small, it modifies both the energy levels and the stationary states. This allows us to make an expansion in power series of a perturbation parameter, which is assumed to be small. Perturbation theory may be applied both to the case where the additional force is time-independent (in which case a stationary treatment suffices – the subject of the present section) as well as to the case where it explicitly depends on time.
This chapter discusses the connection between the classical and semiclassical domains of scattering. Scattering phenomena may be described via three regimes: the scattering of waves by objects with small, large, or comparable sizes with the wavelength of the incident (plane wave) radiation. All three regions can be related to three domains: the classical domain (geometrical optics, particle and particle/ray-like trajectories); the wave domain (physical optics, acoustic and electromagnetic waves, quantum mechanics); and the semiclassical domain (the vast intermediate region between the first and second domain). The chapter first provides an overview of classical and semiclassical scattering domains before beginning with an analysis of the semiclassical formulation. It also considers the radial equation, scattering by a one-dimensional potential barrier, and the radially symmetric problem. Solutions for phase shifts and the potential well are presented.
Rather general expressions are derived which represent the semiclassical time-dependent propagator as an integral over initial conditions for classical trajectories. These allow one to propagate time-dependent wave functions without searching for special trajectories that satisfy two-time boundary conditions. In many circumstances, the integral expressions are free of singularities and provide globally valid uniform asymptotic approximations. In special cases, the expressions for the propagators are related to existing semiclassical wave function propagation techniques. More generally, the present expressions suggest a large class of other, potentially useful methods. The behavior of the integral expressions in certain limiting cases is analyzed to obtain simple formulas for the Maslov index that may be used to compute the Van Vleck propagator in a variety of representations.
A procedure for the evaluation of one-dimensional uniform semiclassical wave functions is explored. This form of the approximate wave function is tested for the case of an exponential potential and is compared to the exact quantum mechanical and WKB wave functions. It is found that the uniform approximation provides a very accurate representation of the exact wave function, even at the turning points of the classical motion, where the WKB approximation diverges. It is demonstrated how correction terms can be constructed, leading to a formal expansion for the exact wave function. The individual terms of this expansion each involve a finite number of reflection points with uniform semiclassical propagation between these reflections. The analysis is extended to multisurface (nonadiabatic) problems, removing the turning point singularities which are generally present in semiclassical formulations of nonadiabatic problems.