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Physical Review A

More accurate discrete-time approximation of the Feynman path integral

Daniel R. Stump

Published Jul 1, 1987• 7 citations
Publisher

Abstract

A discrete-time approximation of the Feynman path integral is derived, for which the potential is approximated at each step by a quadratic polynomial; this is more accurate than the usual approximation for which the potential is approximated by a constant. This approximation is studied for several simple examples, by Monte Carlo calculations of the path integral.

DOI
10.1103/physreva.36.365

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A discrete-time approximation of the Feynman path integral is derived, for which the potential is approximated at each step by a quadratic polynomial; this is more accurate than the usual approximation for which the potential is approximated by a constant. This approximation is studied for several simple examples, by Monte Carlo calculations of the path integral.
Discretizations of the Feynman-Kac path integral representation of the quantum mechanical density matrix are investigated. Each infinite-dimensional path integral is approximated by a Riemann integral over a finite-dimensional function space, by restricting the integration to a subspace of all admissible paths. Using this process, a wide class of methods can be derived, with each method corresponding to a different choice for the approximating subspace. The traditional ``short-time'' approximation and ``Fourier discretization'' can be recovered from this approach, using linear and spectral basis functions respectively. As an illustration, a novel method is formulated using cubic elements and is shown to have improved convergence properties when applied to a simple model problem.
Abstract The focus of Chapter 12 is the Feynman path integral formulations of quantum mechanics and quantum statistical mechanics. The connection between real-time quantum propagator and the density matrix is established via the Wick rotation, and a Trotter expansion is used to derive discrete path integral expressions for both. The continuous limit of the discrete path integral is derived to yield the functional integral formulation of the path integral. The construction of estimators and their averages for computing quantum observables is discussed. Next, the path integral is extended to incorporate Boltzmann, Fermi-Dirac, and Bose-Einstein statistics, and a useful recursive formula for the partition function is derived that accelerates convergence by building up N-body partition functions from those of smaller systems. Quantum free energies are discussed, and algorithms for the evaluation of path integrals using molecular dynamics or Monte Carlo are presented. The chapter concludes with a discussion of higher-order factorizations and ring-polymer contraction methods to reduce the computational overhead of path-integral calculations
The Feynman path-integral formulation of quantum mechanics is developed. The math- ematical framework is worked out from Schrödinger's equation, illustrating the compati- bility of the two formulations. We introduce the sum over all paths, known as the kernel K, and discuss its implications for events occurring in succession. We compute the kernel for quadratic Lagrangians. Then, making use of imaginary time, we consider the discrete version of the kernel, known as the Euclidean path integral, and use it to solve the (quan- tum) harmonic and anharmonic oscillators through numerical Monte Carlo simulations. Lastly, we use the framework to quantize the electromagnetic field, as a motivation to discuss perturbation theory via Feynman diagrams.