Document Type
Article
Subject Area(s)
Chemical Physics
Abstract
Similarity of equations of motion for the classical and quantum trajectories is used to introduce afriction term dependent on the wavefunction phase into the time-dependent Schrödingerequation. The term describes irreversible energy loss by the quantum system. The force offriction is proportional to the velocity of a quantum trajectory. The resulting Schrödinger equationis nonlinear, conserves wavefunction normalization, and evolves an arbitrary wavefunction into the ground state of the system (of appropriate symmetry if applicable). Decrease in energy is proportional to the average kinetic energy of the quantum trajectory ensemble. Dynamics in the high friction regime is suitable for simple models of reactions proceeding with energy transfer from the system to the environment. Examples of dynamics are given for single and symmetric and asymmetric double well potentials.
Digital Object Identifier (DOI)
https://doi.org/10.1063/1.4788832
Publication Info
Published in The Journal of Chemical Physics, Volume 138, Issue 5, 2013, pages 054107-.
© The Journal of Chemical Physics 2013, American Institute of Physics.
This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
APA Citation
Garashchuk, S., Dixit, V., Gu, B., & Mazzuca, J. (2013). The Schrödinger Equation with Friction from the Quantum Trajectory Perspective. The Journal of Chemical Physics, 138(5), 054107. https://doi.org/10.1063/1.4788832
Rights
© The Journal of Chemical Physics 2013, American Institute of Physics.
This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.