Numerical mathematics of Feynman path integrals and the operator ordering problem.

Abstract

Infinitesimal propagators have been used in quantum-mechanical problems to establish ordering rules for classical quantities. Ambiguities arise in operator ordering as a result of the freedom of choice in evaluating the classical action over a short-time interval. The primitive quadrature rule employed in a short-time propagator establishes the quantum system associated with the classical Hamiltonian. Normal propagators are constructed from products of infinitesimal propagators and represent a compound quadrature in which the path is broken into line segments and a separate quadrature rule is applied to each line segment. It is demonstrated for Hamiltonians involving the vector potential that higher-order quadratures of the infinitesimal propagator all give a unique and proper ordering. Similarly, Hamiltonians that are products of powers of position x and momentum p, i.e., ${\mathit{p}}^{\mathit{l}}$${\mathit{x}}^{\mathit{m}}$, show some preference for Born-Jordon ordering as higher quadrature rules are applied. Unique orderings can be obtained in some cases by solving for the normal propagator. This is done for the Hamiltonian ${\mathit{p}}^{\mathit{l}}$${\mathit{x}}^{\mathit{m}}$ by using a Fourier representation for the phase-space propagator. This formalism requires that both the momentum and position coordinates be represented by Fourier series. These results show that care must be taken when generating quantum-mechanical operators by using primitive quadrature rules in conjunction with a short-time propagator. These ambiguities are eliminated when the compound quadrature is performed to generate the normal propagator.