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Journal of Mathematical Physics

Periodic Orbits and Classical Quantization Conditions

Martin C. Gutzwiller

Published Mar 1, 1971• 1,529 citations
Publisher

Abstract

The relation between the solutions of the time-independent Schrödinger equation and the periodic orbits of the corresponding classical system is examined in the case where neither can be found by the separation of variables. If the quasiclassical approximation for the Green's function is integrated over the coordinates, a response function for the system is obtained which depends only on the energy and whose singularities give the approximate eigenvalues of the energy. This response function is written as a sum over all periodic orbits where each term has a phase factor containing the action integral and the number of conjugate points, as well as an amplitude factor containing the period and the stability exponent of the orbit. In terms of the approximate density of states per unit interval of energy, each stable periodic orbit is shown to yield a series of δ functions whose locations are given by a simple quantum condition: The action integral differs from an integer multiple of h by half the stability angle times ℏ. Unstable periodic orbits give a series of broadened peaks whose half-width equals the stability exponent times ℏ, whereas the location of the maxima is given again by a simple quantum condition. These results are applied to the anisotropic Kepler problem, i.e., an electron with an anisotropic mass tensor moving in a (spherically symmetric) Coulomb field. A class of simply closed, periodic orbits is found by a Fourier expansion method as in Hill's theory of the moon. They are shown to yield a well-defined set of levels, whose energy is compared with recent variational calculations of Faulkner on shallow bound states of donor impurities in semiconductors. The agreement is good for silicon, but only fair for the more anisotropic germanium.

DOI
10.1063/1.1665596

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Selection of coordinates for use in evaluating the Sommerfield quantum integrals.---It is well known that these coordinates need not necessarily satisfy Lagrange's equations, and a general criterion for the choice of such variables is given in the present paper, in which it is shown that all sets of $p$'s and $q$'s which (a) satisfy Hamilton's equations, (b) separate the variables, and (c) are of such a character that the average value of the kinetic energy is equal to that of $\frac{1}{2}\ensuremath{\Sigma}{1}^{n}{p}_{i}{\stackrel{\ifmmode \dot{}\else \.{}\fi{}}{q}}_{i}$, will give the correct energy levels when employed in the quantum integrals $\ensuremath{\int}{p}_{i}d{q}_{i}={n}_{i}h$; ($i=1,2,\ensuremath{\cdots}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{},n$). This general class of coordinate systems includes as special cases the familiar normalized Schwarzschild angle variables and Lagrangian generalized coordinates which separate the variables.Combination of Hamilton's principle with Trkal's method for quantizing conditionally periodic systems is proposed which, like Hamilton's principle, determines the character of the motion permitted by the Newtonian dynamics, and in addition quantizes the orbits by specializing the constants of integration in accordance with the conventional quantum conditions. This variation principle includes formally in a single equation the results of classical dynamics and the Sommerfield quantum conditions, which together determine the sizes and shapes of electronic orbits. The principle is illustrated by an application to a non-linear oscillator in which the potential involves the second and fourth powers of the displacement from the equilibrium position.

Physical Review•Dec 1, 1923•7 citations
The relation between the solutions of the time-independent Schrödinger equation and the periodic orbits of the corresponding classical system is examined in the case where neither can be found by the separation of variables. If the quasiclassical approximation for the Green's function is integrated over the coordinates, a response function for the system is obtained which depends only on the energy and whose singularities give the approximate eigenvalues of the energy. This response function is written as a sum over all periodic orbits where each term has a phase factor containing the action integral and the number of conjugate points, as well as an amplitude factor containing the period and the stability exponent of the orbit. In terms of the approximate density of states per unit interval of energy, each stable periodic orbit is shown to yield a series of δ functions whose locations are given by a simple quantum condition: The action integral differs from an integer multiple of h by half the stability angle times ℏ. Unstable periodic orbits give a series of broadened peaks whose half-width equals the stability exponent times ℏ, whereas the location of the maxima is given again by a simple quantum condition. These results are applied to the anisotropic Kepler problem, i.e., an electron with an anisotropic mass tensor moving in a (spherically symmetric) Coulomb field. A class of simply closed, periodic orbits is found by a Fourier expansion method as in Hill's theory of the moon. They are shown to yield a well-defined set of levels, whose energy is compared with recent variational calculations of Faulkner on shallow bound states of donor impurities in semiconductors. The agreement is good for silicon, but only fair for the more anisotropic germanium.
The eigenvalue density of a quantum-mechanical system exhibits oscillations, determined by the closed orbits of the corresponding classical system; this relationship is simple and strong for waves in billiards or on manifolds, but becomes slightly muddy for a Schrödinger equation with a potential, where the orbits depend on the energy.In special cases the simplicity has been restored by rescaling the size of the orbit, and perhaps a coupling constant at the same time.We point out that the goal can be achieved for any system of this class simply by rescaling the overall coupling constant.In each of these situations we inspect critically the relation between the oscillation frequency and the period of the orbit; in many cases it is observed that a characteristic length of the orbit is a better indicator.When these matters are properly understood, the periodic-orbit theory for generic quantum systems recovers the clarity and simplicity that it always had for the wave equation in a cavity.Finally, we comment on the alleged 'paradox' that semiclassical periodic-orbit theory is more effective in calculating low energy levels than high ones.
The semi-classical method has become a necessary instrument to study the classical movement of the particle.Periodic orbit theory is rapidly becoming one of most useful semi-classical tools which can be used to make direct connections between the quantized energy eigenvalues of a bound state and the classical motions for the corresponding point particle.We use a quantum spectral function which contain rich information of classical orbits in well.We study the correspondence between quantum spectra and classical orbits in the circular.Two-dimensional billiard systems have provided easily visualization examples relevant for both types of analyses.As a simple example of the application to a billiard or infinite well system of Periodic orbit theory,we compute the Fourier transform(ρL) of the quantum mechanical energy level density of two-dimensional circular billiard systems.The resulting peaks in plots of ρL2 versus L are compared to the lengths of the classical trajectories in these geometries.The locations of peaks in ρL agree with the lengths of classical orbits perfectly,which testifies the correspondence of quantum mechanics and classical mechanics.This examples show evidently that semi-classical methods provides a bridge between quantum and classical mechanics.
Abstract The energy levels of systems whose classical motion is multiply periodic are accurately given by the quantum conditions of Einstein, Brillouin & Keller (E. B. K.). We transform the E. B. K. conditions into a representation of the spectrum in terms of a ‘topological sum’ involving only the closed classical orbits; the theory applies equally to separable and non-separable systems; stability parameters are not involved. Significant contributions come from complex closed orbits which however have real constants of the motion. Clustering of levels on different scales is demonstrated by smoothing the spectrum using the formal device, due to Balian & Bloch, of adding a variable imaginary part to the energy. The topological sum is shown to agree very well with exactly-computed spectra for circular and spherical potential wells with repulsive core.
The phase integral approximation for the Green's function is investigated so as to yield an approximate expression for the density of states per unit interval of energy. This quantity is shown for negative energies (bound states) to depend only on the periodic orbits, i.e., the smoothly closed trajectories, unlike the approximate wavefunctions which depend on all possible trajectories. A particle in a periodic box of one, two, and three dimensions is discussed first to demonstrate how the approximate density of states contains a continuous background besides the δ-function spikes of the discrete spectrum. Then we examine the situation in a spherically symmetric potential where special problems arise because the quasiclassical propagator has to be evaluated at a focal point of the classical trajectory. With the help of the Helmholtz-Kirchhoff formula of diffraction theory, the amplitude is shown to remain finite at the focus. The orbits which remain entirely in a region of Coulombic potential yield a spectrum of Balmer terms with appropriately reduced degeneracy. However, the orbits which penetrate the screening charge give discrete levels obeying the Bohr-Sommerfeld conditions with the correct degeneracy. The continuous background in the approximate density of states can be discussed on the basis of the formulas derived in this paper. This is necessary as an introduction to the problem of a particle in a potential where the motion is not multiply periodic.
A simple procedure has been found for the general solution of the time-independent Schrödinger equation (SE) with the help of quantization of potential area in one dimension without making any approximation. Energy values are not dependent on wave functions. So, to find the energy values, it is enough to find the classic turning points of the potential function. Two different solutions were obtained, namely, symmetric and antisymmetric in bound states. These normalized wave functions are always periodic. It is enough to take the integral of the square root of the potential energy function to find the normalized wave functions. If these calculations cannot be made analytically, they should then be performed by numerical methods. The SE has been solved for a particle in many one-dimension and the spherical symmetric central potential wells as examples. Their energies and normalized wave functions were found as examples. These solutions were also applied to the theories of scattering and alpha decay. The results obtained with the experimental values were compared with the calculated values. One was seen to be very fit.
Selection of coordinates for use in evaluating the Sommerfield quantum integrals.---It is well known that these coordinates need not necessarily satisfy Lagrange's equations, and a general criterion for the choice of such variables is given in the present paper, in which it is shown that all sets of ppp's and qqq's which (a) satisfy Hamilton's equations, (b) separate the variables, and (c) are of such a character that the average value of the kinetic energy is equal to that of $\frac{1}{2}\ensuremath{\Sigma}{1}^{n}{p}_{i}{\stackrel{\ifmmode \dot{}\else \.{}\fi{}}{q}}_{i}$, will give the correct energy levels when employed in the quantum integrals $\ensuremath{\int}{p}_{i}d{q}_{i}={n}_{i}h$; ($i=1,2,\ensuremath{\cdots}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{},n$). This general class of coordinate systems includes as special cases the familiar normalized Schwarzschild angle variables and Lagrangian generalized coordinates which separate the variables.Combination of Hamilton's principle with Trkal's method for quantizing conditionally periodic systems is proposed which, like Hamilton's principle, determines the character of the motion permitted by the Newtonian dynamics, and in addition quantizes the orbits by specializing the constants of integration in accordance with the conventional quantum conditions. This variation principle includes formally in a single equation the results of classical dynamics and the Sommerfield quantum conditions, which together determine the sizes and shapes of electronic orbits. The principle is illustrated by an application to a non-linear oscillator in which the potential involves the second and fourth powers of the displacement from the equilibrium position.