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American Journal of Physics

Quantization and independent coordinates

Hanno Essén

Published Oct 1, 1978• 40 citations
Publisher

Abstract

This paper reviews canonical and other quantization methods, gives a quantization rule that gives results that agree with those obtained by direct transformation of the Laplacian, and thus expresses the correct Hamiltonian operator in terms of proper conjugate momentum operators. It gives applications to a number of curvilinear coordinates, introduces the class of independent coordinates, presents generalized Jacobi coordinates, and discusses the molecular vibration-rotation Hamiltonian.

DOI
10.1119/1.11488

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This paper reviews canonical and other quantization methods, gives a quantization rule that gives results that agree with those obtained by direct transformation of the Laplacian, and thus expresses the correct Hamiltonian operator in terms of proper conjugate momentum operators. It gives applications to a number of curvilinear coordinates, introduces the class of independent coordinates, presents generalized Jacobi coordinates, and discusses the molecular vibration-rotation Hamiltonian.
Since the conformation of physical systems is often advantageously described with the help of generalized (i.e. curvilinear) coordinates, the following questions are raised and general answers given to them: (i) What are the components of the momentum operators, those of the adjoint momentum operators and those of the hermitian momentum operators? (ii) What is the general form of the hamiltonian operator? (iii) What do the general forms of the momentum and hamiltonian operators become when expressed in terms of quasi-momentum operators (e.g. angular momentum component operators)? (iv) How are the answers to the above questions affected by an arbitrary choice of normalization convention for the total wave-function? A complete set of formulae (whatever the independent choices of coordinates, quasi-momentum operators and normalization) is given and various ‘historical’ formulae are shown to be particular instances of the general formulae proposed.
Based on (i) the spectral resolution definition of the momentum operator, (ii) the linearity of correspondence between physical observables and quantum Hermitian operators, (iii) the definition of conjugate coordinate-momentum variables in classical mechanics, and (iv) the invariance of the classical Hamiltonian to canonical transformations (transformations that change from one set of conjugate variables to another), we show that the $[\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{x},\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{p}]$ coordinate-momentum commutator must have the value ihihih where hhh is a real nonzero number (which we can identify with the experimentally determined $\ensuremath{\hbar}$). The results are then extended to include all generalized coordinates and their conjugate momenta as well as the Cartesian special-relativistic case.
The quantum mechanical, time-dependent wave equation in generalized coordinates is obtained by a slight modification of Schrödinger's original derivation. If the classical Hamiltonian for a system is known, the variational technique may be applied to the Hamilton-Jacobi equation to yield an Euler-Lagrange equation. This latter is then the wave equation for the system. The method, which is generally easy to apply, is illustrated by applications to a single particle in curvilinear coordinates and to a symmetric top molecule.
Path integrals are by and large defined directly in terms of the configuration space representation of the quantum entity's degrees of freedom and employ the Lagrangian description of the quantum entity; most of the path integrals in this book follow this approach. The Hamiltonian provides another independent approach for defining path integrals and is discussed in this chapter. Two important path integrals, which are directly based on the Hamiltonian, are the following: (a) one that is defined on the degree of freedom's phase space , defined as the tensor product of the degree of freedom space and its canonical conjugate momentum space; and (b) path integrals using the coherent state basis instead of the coordinate basis. Path integrals defined on phase space, or for coherent states, are both based on the Hamiltonian. To put in the foreground the role of the Hamiltonian in quantum mechanics, the canonical equations connecting the Lagrangian to the Hamiltonian are discussed. A brief review of Hamiltonian mechanics, also called the canonical equations, is given in Section 5.1 and the connection of symmetries with conservation laws is discussed in Section 5.2. The Hamiltonian is derived from the Lagrangian in Section 5.3, for both Minkowski and Euclidean time. Phase space path integrals are defined in Section 5.4. Canonical quantization based on the Poisson brackets is discussed in Section 5.5, and Dirac brackets required for quantizing constrained systems are derived in Section 5.7. Coherent states and their path integrals are discussed in Sections 5.10 to 5.14.
In this initial paper in a series, we first discuss why classical motions of small particles should be treated statistically. Then we show that any attempted statistical description of any nonrelativistic classical system inevitably yields the multi-coordinate Schrödinger equation, with its usual boundary conditions, as an essential statistical equation for the system. We derive the general "canonical quantization" rule, that the Hamiltonian operator must be the classical Hamiltonian in the NNN-dimensional metric configuration space defined by the classical kinetic energy of the system, with the classical conjugate momentum NNN-vector replaced by −iℏ-i\hbar−iℏ times the vector gradient operator in that space. We obtain these results by using conservation of probability, general tensor calculus, the Madelung transform, the Ehrenfest theorem and/or the Hamilton-Jacobi equation, and comparison with results for the charged harmonic oscillator in stochastic electrodynamics. We also provide two illustrative examples and a discussion of how coordinate trajectories could be compatible with wave properties such as interference, diffraction, and tunneling.