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Perturbation expansions of stochastic wavefunctions for open quantum systems
1State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People's Republic of China.
The Journal of Chemical Physics
|November 17, 2017
Summary
A new non-Markovian stochastic Schrödinger equation (NMSSE) accurately models open quantum systems. This method outperforms existing approaches for quantum dynamics, especially in challenging scenarios.
Area of Science:
- Quantum Mechanics
- Open Quantum Systems
- Computational Physics
Background:
- Open quantum systems interact with their environments, leading to complex dynamics.
- Existing methods for simulating these dynamics, like quantum master equations, have limitations in accuracy and applicability.
- The Feynman path integral formalism provides a framework for understanding these interactions.
Purpose of the Study:
- To develop a new, accurate, and versatile method for simulating non-Markovian dynamics in open quantum systems.
- To establish a non-Markovian stochastic Schrödinger equation (NMSSE) based on Feynman path integrals.
- To enable systematic perturbation expansion in system-bath coupling to arbitrary order.
Main Methods:
- Stochastic unravelling of the reduced density operator within the Feynman path integral formalism.
- Development of a novel non-Markovian stochastic Schrödinger equation (NMSSE).
- Transformation of the NMSSE into non-Markovian quantum state diffusion and time-dependent wavepacket diffusion methods.
- Benchmarking against numerically exact results and established perturbative quantum master equations.
Main Results:
- The proposed NMSSE method demonstrates superior accuracy compared to second-order time-convolutionless quantum master equations across all parameter regimes.
- It significantly outperforms fourth-order methods in slow bath and high-temperature conditions.
- The method is applicable to any spectral density function, highlighting its versatility.
- It benefits from a wavefunction framework and time-local evolution within stochastic trajectories.
Conclusions:
- The developed NMSSE is a powerful and accurate tool for exploring quantum dynamics in large-scale systems.
- It offers advantages over existing perturbative quantum master equations, particularly in non-Markovian regimes.
- The method's flexibility and efficiency make it suitable for diverse quantum system simulations.
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