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arXiv:1706.03111

Construction of an approximate solution of the Wigner equation by uniformization of WKB functions

Konstantina-Stavroula Giannopoulou

Published Jun 9, 2017• 0 citations

Abstract

In this thesis, we construct an approximate series solution of the Wigner equation in terms of Airy functions, which are semiclassically concentrated on certain Lagrangian curves in two-dimensional phase space. These curves are defined by the eigenvalues and the Hamiltonian function of the associated one-dimensional Schrödinger operator, and they play a crucial role in the quantum interference mechanism in phase space. We assume that the potential of the Schrödinger operator is a single potential well, such that the spectrum is discrete. The construction starts from an eigenfunction series expansion of the solution, which is derived here for first time in a systematic way, by combining the elementary technique of separation of variables with involved spectral results for the Moyal star exponential operator. The eigenfunctions of the Wigner equation are the Wigner transforms of the Schrödinger eigenfunctions, and they are approximated in terms of Airy functions by a uniform stationary phase approximation of the Wigner transforms of the WKB expansions of the Schrödinger eigenfunctions. The approximation of the eigenfunction series is an approximated solution of the Wigner equation, which by projection onto the configuration space provides an approximate wave amplitude, free of turning point singularities. It is generally expected that, the derived wave amplitude is bounded, and correctly scaled, even on caustics, since only finite terms of the approximate terms are significant for WKB initial wave functions with finite energy. The details of the calculations are presented for the simple potential of the harmonic oscillator, in order to be able to check our approximations analytically. But, the same construction can be applied to any potential well, which behaves like the harmonic oscillator near the bottom of the well.

DOI: 10.48550/arxiv.1706.03111

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Solution of the Schrödinger's equation in the zero order WKB approximation is analyzed. We observe and investigate several remarkable features of the WKB

_0

method. Solution in the whole region is built with the help of simple connection formulas we derive from basic requirements of continuity and finiteness for the wave function in quantum mechanics. We show that, for conservative quantum systems, not only total energy, but also momentum is the constant of motion. We derive the quantization conditions for two and more turning point problems. Exact energy eigenvalues for solvable and some ``insoluble'' potentials are obtained. The eigenfunctions have the form of a standing wave,

A_n\cos(k_nx+δ_n)

, and are the asymptote of the exact solution.

Quantum harmonic oscillator (QHO) involves square law potential (x2) in the Schrodinger equation and is a fundamental problem in quantum mechanics. It can be solved by various conventional methods such as (i) analytical methods where Hermite polynomials are involved, (ii) algebraic methods where ladder operators are involved, and (iii) approximation methods where perturbation, variational, semiclassical, etc. techniques are involved. Here we present the general outcomes of the two conventional semiclassical approximation methods: the JWKB method (named after Jeffreys, Wentzel, Kramers, and Brillouin) and the MAF method (abbreviated for “modified Airy functions”) to solve the QHO in a very good precision. Although JWKB is an approximation method, it interestingly gives the exact solution for the QHO except for the classical turning points (CTPs) where it diverges as typical to the JWKB. As the MAF method, it enables very approximate wave functions to be written in terms of Airy functions without any discontinuity in the entire domain, though, it needs careful treatment since Airy functions exhibit too much oscillatory behavior. Here, we make use of the parity conditions of the QHO to find the exact JWKB and approximate MAF solutions of the QHO within the capability of these methods.

We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are discussed. The propagator of the Wigner function based on van Vleck's approximation replaces the Liouville propagator by a quantum spot with an oscillatory pattern reflecting the interference between pairs of classical trajectories. Employing phase-space path integration instead, caustics in the quantum spot are resolved in terms of Airy functions. We apply both to two benchmark models of nonlinear molecular potentials, the Morse oscillator and the quartic double well, to test them in standard tasks such as computing autocorrelation functions and propagating coherent states. The performance of semiclassical Wigner propagation is very good even in the presence of marked quantum effects, e.g., in coherent tunneling and in propagating Schrodinger cat states, and of classical chaos in four-dimensional phase space. We suggest options for an effective numerical implementation of our method and for integrating it in Monte-Carlo-Metropolis algorithms suitable for high-dimensional systems.

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