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Multidimensional classical Liouville dynamics with quantum initial conditions
2002
Journal of Chemical Physics
A simple and numerically efficient approach to Wigner transforms and classical Liouville dynamics in phase space is presented. ͑1͒ The Wigner transform can be obtained with a given accuracy by optimal decomposition of an initial quantum-mechanical wave function in terms of a minimal set of Gaussian wave packets. ͑2͒ The solution of the classical Liouville equation within the locally quadratic approximation of the potential energy function requires a representation of the density in terms of an
doi:10.1063/1.1498467
fatcat:rje2ukahsbbnzb7slbkcg5rsha