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A scalable algorithm of numerical real-time path integral for quantum dissipative systems.

Yoshihiro Sato1

  • 1Department of Physics, Gettysburg College, Gettysburg Pennsylvania 17325, USA.

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|June 17, 2019
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Summary
This summary is machine-generated.

A new numerical algorithm for quantum path integration scales efficiently for large systems. This method aids in studying complex quantum dynamics, such as energy transfer in the Fenna-Matthews-Olson complex.

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Area of Science:

  • Quantum mechanics
  • Computational physics
  • Spectroscopy

Background:

  • Numerical real-time path integration is crucial for studying quantum systems interacting with their environment.
  • Path integral computations are generally resource-intensive and challenging to implement on modern parallel hardware.

Purpose of the Study:

  • To propose a novel numerical algorithm for path integral computations.
  • To demonstrate the scalability of the proposed algorithm for large quantum systems.

Main Methods:

  • Development of a numerical algorithm based on the quasi-adiabatic propagator path integral scheme.
  • Application of the algorithm to model quantum dynamics of excitation energy transfer in the Fenna-Matthews-Olson complex using a vibronic model.

Main Results:

  • The proposed algorithm demonstrates efficient scaling for large quantum systems.
  • The algorithm's performance is validated through a case study on excitation energy transfer in the Fenna-Matthews-Olson complex.

Conclusions:

  • The quasi-adiabatic propagator path integral scheme offers a scalable solution for complex quantum dynamics simulations.
  • This approach facilitates the study of systems like the Fenna-Matthews-Olson complex by allowing straightforward variation of system size.