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Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering
Keith H Hughes1, Robert E Wyatt
1Institute of Theoretical Chemistry, Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712, USA. keith.hughes@bangor.ac.uk
The Journal of Chemical Physics
|July 23, 2004
Summary
This study numerically investigates thermal environment effects on wave packet scattering using the Caldeira-Leggett master equation. The derivative propagation method (DPM) efficiently simulates quantum dynamics and decoherence effects on transmission probability.
Area of Science:
- Quantum mechanics
- Statistical mechanics
- Computational physics
Background:
- The Caldeira-Leggett master equation describes quantum systems interacting with thermal environments.
- Simulating quantum dynamics in thermal baths is computationally challenging.
- Understanding decoherence is crucial for quantum information processing.
Purpose of the Study:
- To numerically study the effect of a thermal environment on wave packet scattering.
- To investigate the dynamics of quantum systems using phase space trajectories.
- To assess the efficiency of the derivative propagation method (DPM) for such simulations.
Main Methods:
- Utilized the Caldeira-Leggett master equation in Lindblad form.
- Employed phase space trajectories of the distribution function W(q,p,t).
- Applied the derivative propagation method (DPM) for individual trajectory propagation.
Main Results:
- Demonstrated decoherence via trajectory swelling in momentum space on short timescales.
- Calculated transmission probabilities for scattering from a repulsive Eckart barrier.
- Compared DPM results with exact calculations for nondissipative systems.
Conclusions:
- The DPM offers an efficient method for simulating quantum dynamics in thermal environments.
- Decoherence significantly impacts wave packet scattering dynamics.
- Numerical simulations provide valuable insights into quantum dissipation and scattering phenomena.