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Phys. Rev. Lett. 82, 5190–5193 (1999)

Quantum Wave Packet Dynamics with Trajectories

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Courtney L. Lopreore and Robert E. Wyatt
Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, Texas 78712

Received 13 January 1999; published in the issue dated 28 June 1999

The de Broglie–Bohm causual (hydrodynamic) formulation of quantum mechanics is computationally implemented in the Lagrangian (moving with the fluid) viewpoint. The quantum potential and force are accurately evaluated with a moving weighted least squares algorithm. The quantum trajectory method is then applied to barrier tunneling on smooth potential surfaces. Analysis of the tunneling mechanism leads to a novel and accurate approximation: shortly after the wave packet is launched, completely neglect all quantum terms in the dynamical equations for motion along the tunneling coordinate.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.82.5190
DOI:
10.1103/PhysRevLett.82.5190
PACS:
34.10.+x

See Also

Comment: Jordi Suñé and Xavier Oriols, Comment on “Quantum Wave Packet Dynamics with Trajectories”, Phys. Rev. Lett. 85, 894 (2000).

Reply: Courtney L. Lopreore and Robert E. Wyatt, Lopreore and Wyatt Reply:, Phys. Rev. Lett. 85, 895 (2000).