Quantum Dynamics with Bohmian Trajectories: Energy Conserving Approximation to the Quantum Potential

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The Schrödinger equation can be solved in terms of quantum trajectories evolving under the influence of quantum potential. We present a method of computing the quantum potential by approximating the non-classical component of the momentum operator, such that the total energy of a closed system is conserved. A case of special interest is linearized quantum force with analytical parameters and correct average value. This method is computationally cheap and exact for locally quadratic potentials. We illustrate its efficiency and accuracy by computing the photodissociation spectrum of ICN and the wavepacket transition probability for H3 in two dimensions.


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#376, ISSUE#3-4, (24 JULY 2003)] DOI#10.1016/S0009-2614(03)01008-X

Garashchuk, S.&Rassolov,V.A.(2003). Quantum dynamics with Bohmian trajectories: Energy conserving approximation to the quantum potential. Chemical Physics Letters, 376(3-4), 358-363.