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Published on: March 30, 2017
Improved memory truncation scheme for quasi-adiabatic propagator path integral via influence functional
Limin Liu1, Jiajun Ren1, Weihai Fang1
1Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, 100875 Beijing, People's Republic of China.
This study introduces a new memory truncation for the iterative quasi-adiabatic propagator path integral (iQuAPI) method. It improves accuracy in simulating non-Markovian quantum dynamics, especially for systems with long memory times.
Area of Science:
- Quantum mechanics
- Computational physics
- Quantum information science
Background:
- Simulating non-Markovian quantum dynamics in system-bath coupled problems is computationally demanding.
- Existing iterative quasi-adiabatic propagator path integral (iQuAPI) methods face challenges with long memory times due to conventional memory truncation.
Purpose of the Study:
- To develop and validate a novel memory truncation scheme for the iQuAPI method.
- To enhance the accuracy and efficiency of simulating quantum dynamics in systems with long memory times.
Main Methods:
- A new memory truncation scheme is proposed for the iQuAPI method.
- The scheme selectively retains significant parts of the influence functional using the density matrix renormalization group algorithm.
- Simulations were performed on the spin-boson model across various parameter sets.
Main Results:
- The novel memory truncation scheme demonstrates improved accuracy compared to conventional methods.
- Faster convergence was observed in simulations using the new scheme.
- The method effectively handles problems with long memory times.
Conclusions:
- The proposed memory truncation scheme significantly advances the capabilities of iQuAPI for simulating complex quantum systems.
- This approach offers a more accurate and efficient way to study non-Markovian quantum dynamics.
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