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Non-Hermitian State-to-State Analysis of Transport in Aggregates with Multiple Endpoints
Devansh Sharma1, Amartya Bose1
1Department of Chemical Sciences, Tata Institute of Fundamental Research, Mumbai 400005, India.
Journal of Chemical Theory and Computation
|June 12, 2025
Summary
We developed a new non-Hermitian approach to precisely calculate quantum transport efficiency and energy extraction in complex systems. This method reveals intricate transport pathways and environmental loss mechanisms.
Area of Science:
- Quantum mechanics
- Chemical physics
- Condensed matter physics
Background:
- Quantum transport in aggregates is a complex, nonequilibrium phenomenon.
- Understanding energy transfer and loss pathways is crucial for designing quantum systems.
- Existing methods struggle to simultaneously account for system coupling, environmental effects, and local extraction.
Purpose of the Study:
- To present an exact computational approach for analyzing quantum transport efficiency.
- To quantify emergent timescales and energy extraction specific to individual traps.
- To elucidate the interplay between internal transport and environmental loss in open quantum systems.
Main Methods:
- A non-Hermitian generalization of the state-to-state transport analysis.
- Simultaneous consideration of inter-site coupling, many-body effects (vibrations, temperature), and non-Hermitian local extraction terms.
- Decomposition of quantum dynamics into internal transport pathways and environmental loss.
Main Results:
- The method accurately computes emergent timescales and extraction amounts for specific traps.
- It successfully parses quantum dynamics into distinct internal transport and environmental loss components.
- Demonstrated application to exciton transport in a lossy polaritonic cavity reveals competing loss and extraction mechanisms.
Conclusions:
- The non-Hermitian state-to-state analysis provides a powerful tool for understanding quantum transport.
- It offers insights into nonintuitive physics arising from competing loss and extraction processes.
- This technique is vital for elucidating transport routes in open quantum systems.
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