Corrections to Wigner type phase space methods

DOI10.1088/0951-7715/27/12/2951MaRDI QIDQ2936147zbMATH OpenOpenAlexFDO

Authors Wolfgang Gaim, Caroline Lasser

Publication date 5 January 2015

Published in Nonlinearity (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1403.2839

Mathematics Subject Classification ID

Numerical integration (65D30) Computational methods for problems pertaining to quantum theory (81-08) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Phase-space methods including Wigner distributions, etc. applied to problems in quantum mechanics (81S30) Applications to the sciences (65Z05)

Abstract: Over decades, the time evolution of Wigner functions along classical Hamiltonian flows has been used for approximating key signatures of molecular quantum systems. Such approximations are for example the Wigner phase space method, the linearized semiclassical initial value representation, or the statistical quasiclassical method. The mathematical backbone of these approximations is Egorov's theorem. In this paper, we reformulate the well-known second order correction to Egorov's theorem as a system of ordinary differential equations and derive an algorithm with improved asymptotic accuracy for the computation of expectation values. For models with easily evaluated higher order derivatives of the classical Hamiltonian, the new algorithm's corrections are computationally less expensive than the leading order Wigner method. Numerical test calculations for a two-dimensional torsional system confirm the theoretical accuracy and efficiency of the new method.

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Cited in

(7)

• Interpretation of the Wigner energy as due to RPA correlations
• The spectrogram expansion of Wigner functions
• Computing quantum dynamics in the semiclassical regime
• A new phase space density for quantum expectations
• Correction to "The wave-digital method and some of its relativistic implications"
• An invariant class of wave packets for the Wigner transform
• The joy and pain of skew symmetry

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