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Article Dans Une Revue Journal of Chemical Physics Année : 2010

Tunneling dynamics and spawning with adaptive semi-classical wave-packets

Résumé

Tunneling through a one-dimensional Eckart barrier is investigated using a recently developed propagation scheme based on semiclassical wave packets. This version of the time-dependent discrete variable representation method yields linear equations for the parameters, is fully adaptive, and does not require a frozen ansatz in order to approximate the exact solution of the Schrödinger equation accurately. We rely on an analytical result to derive a new algorithm to spawn a second family of semiclassical wave packets after the tunneling has occurred. Numerical results for a benchmark problem demonstrate the accuracy of the new method.
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Dates et versions

hal-00954339 , version 1 (01-03-2014)

Identifiants

  • HAL Id : hal-00954339 , version 1

Citer

Vasile Gradinaru, George A. Hagedorn, Alain Joye. Tunneling dynamics and spawning with adaptive semi-classical wave-packets. Journal of Chemical Physics, 2010, 132, pp.184108. ⟨hal-00954339⟩
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