Kube, S. and Lasser, C. and Weber, M. (2009) Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics. J. Comp. Phys., 228 (6). pp. 19471962.

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Official URL: http://dx.doi.org/10.1016/j.jcp.2008.11.016
Abstract
The article addresses the achievable accuracy for a Monte Carlo sampling of Wigner functions in combination with a surface hopping algorithm for nonadiabatic quantum dynamics. The approximation of Wigner functions is realized by an adaption of the Metropolis algorithm for realvalued functions with disconnected support. The integration, which is necessary for computing values of the Wigner function, uses importance sampling with a Gaussian weight function. The numerical experiments agree with theoretical considerations and show an error of 2–3%.
Item Type:  Article 

Subjects:  Physical Sciences > Physics > Mathematical & Theoretical Physics > Quantum Mechanics 
Divisions:  Department of Mathematics and Computer Science > Institute of Mathematics 
ID Code:  900 
Deposited By:  Burkhard Schmidt 
Deposited On:  29 Apr 2010 07:46 
Last Modified:  03 Mar 2017 14:40 
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