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arXiv:chem-ph/9603006 · Physical Review A

From Heisenberg matrix mechanics to semiclassical quantization: Theory and first applications

William R. Greenberg, Abraham Klein, I.S. Zlatev, Ching‐Teh Li

Published Sep 1, 1996• 12 citations
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Abstract

Despite the seminal connection between classical multiply periodic motion and Heisenberg matrix mechanics and the massive amount of work done on the associated problem of semiclassical Einstein-Brillouin-Keller (EBK) quantization of bound states, we show that there are, nevertheless, a number of previously unexploited aspects of this relationship that bear on the quantum-classical correspondence. In particular, we emphasize a quantum variational principle that implies the classical variational principle for invariant tori. We also expose the more indirect connection between commutation relations and quantization of action variables. In the special case of a one-dimensional system a different and succinct algebraic derivation of the WKB quantization rule for bound states is given. With the help of several standard models with one or two degrees of freedom, we then illustrate how the methods of Heisenberg matrix mechanics described in this paper may be used to obtain quantum solutions with a modest increase in effort compared to semiclassical calculations. We also describe and apply a method for obtaining leading quantum corrections to EBK results. Finally, we suggest several modified applications of EBK quantization. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physreva.54.1820

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Despite the seminal connection between classical multiply periodic motion and Heisenberg matrix mechanics and the massive amount of work done on the associated problem of semiclassical Einstein-Brillouin-Keller (EBK) quantization of bound states, we show that there are, nevertheless, a number of previously unexploited aspects of this relationship that bear on the quantum-classical correspondence. In particular, we emphasize a quantum variational principle that implies the classical variational principle for invariant tori. We also expose the more indirect connection between commutation relations and quantization of action variables. In the special case of a one-dimensional system a different and succinct algebraic derivation of the WKB quantization rule for bound states is given. With the help of several standard models with one or two degrees of freedom, we then illustrate how the methods of Heisenberg matrix mechanics described in this paper may be used to obtain quantum solutions with a modest increase in effort compared to semiclassical calculations. We also describe and apply a method for obtaining leading quantum corrections to EBK results. Finally, we suggest several modified applications of EBK quantization. \textcopyright{} 1996 The American Physical Society.
After a brief review of the extensive work done on the theory of invariant tori and their quantization, we show that nevertheless an important connection between the quantum and classical theories remains to be exploited. This is the relationship between matrix elements of operators in the energy diagonal representation and Fourier components of the corresponding classical dynamical variables that was the basis for Heisenberg's invention of quantum mechanics. We describe a number of previously unknown or little-known aspects of this relationship, with special emphasis on variational principles and the connection between commutation relations and quantization of action variables. As a single illustration of the utility of these ideas we show that it is possible to obtain approximate solutions to the quantum scheme that are more accurate than the semiclassical approximation with little additional effort compared to the latter.
The problem of semiclassical quantization of nonseparable systems with a finite number of degrees of freedom is studied within the framework of Heisenberg matrix mechanics, in extension of previous work on one-dimensional systems. The relationship between the quantum theory and multiply-periodic classical motions is derived anew. A suitably averaged Lagrangian provides a variational basis not only for the Fourier components of the semiclassical equations of motion, but also for the general definition of action variables. A Legendre transformation to the Hamiltonian verifies that these have been properly chosen and therefore provide a basis for the quantization of nonseparable systems. The problem of connection formulas is discussed by a method integral to the present approach. The action variables are shown to be adiabatic invariants of the classical system. An elementary application of the method is given. The methods of this paper are applicable to nondegenerate systems only.
We examine the semiclassical limit of the quantum energy spectrum in many dimensions: by means of a WKB-like ansatz leading to Einstein-Brillouin-Keller (EBK) quantization, by means of a path integral, hence associating a bound state with a particular classical periodic trajectory, and by the Birkhoff-Gustavson (BG) transformation to action-angle variables. We extend the EBK method to many-fermion systems using coherent states; and apply both EBK using surfaces of section, and the BG transformation to an SU(3) schematic nuclear shell model. We describe a new algorithm for finding periodic trajectories of a Lagrangian system with polynomial potential. It is applied to the Henon-Heiles system with good results, and these trajectories are used to quantize the system. The EBK and BG methods have some success, while periodic trajectory quantization fails. We discuss possible reasons for this failure and future approaches to these problems.
For many years we have advocated a form of quantum mechanics based on the application of sum rule methods (completeness) to the equations of motion and to the commutation relations, i.e., to Heisenberg matrix mechanics. Sporadically we have discussed or alluded to a variational foundation for this method. In this paper we present a series of variational principles applicable to a range of systems from one-dimensional quantum mechanics to quantum fields. The common thread is that the stationary quantity is the trace of the Hamiltonian over Hilbert space (or over a subspace of interest in an approximation) expressed as a functional of matrix elements of the elementary operators of the theory. These parameters are constrained by the kinematical relations of the theory introduced by the method of Lagrange multipliers. For the field theories, variational principles in which matrix elements of the density operators are chosen as fundamental are also developed. A qualitative discussion of applications is presented.