Semiclassical Dynamics Based on Quantum Trajectories
Document Type
Article
Abstract
We present a trajectory-based method that incorporates quantum effects in the context of Hamiltonian dynamics. It is based on propagation of trajectories in the presence of quantum potential within the hydrodynamic formulation of the Schrödinger equation. The quantum potential is derived from the density approximated as a linear combination of gaussian functions. One-gaussian fit gives exact result for parabolic potentials, as do successful semiclassical methods. The limit of the large number of fitting gaussians and trajectories gives the full quantum–mechanical result. The method is systematically improvable from classical to fully quantum, as demonstrated on a transmission through the Eckart barrier.
Publication Info
Chemical Physics Letters, Volume 364, Issue 5-6, 2002, pages 562-567.
NOTICE: this is the author’s version of a work that was accepted for publication in . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in PUBLICATION, [VOL#364, ISSUE#5-6, (16 OCTOBER 2002)] DOI#10.1016/S0009-2614(02)01378-7.
Garashchuk, S.&Rassolov,V.A.(2002). Semiclassical dynamics based on quantum trajectories. Chemical Physics Letters, 364(5-6), 562-567.
Rights
NOTICE: this is the author’s version of a work that was accepted for publication in . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in PUBLICATION, [VOL#364, ISSUE#5-6, (16 OCTOBER 2002)] DOI#10.1016/S0009-2614(02)01378-7.
Garashchuk, S.&Rassolov,V.A.(2002). Semiclassical dynamics based on quantum trajectories. Chemical Physics Letters, 364(5-6), 562-567.