Routes of Transport in the Path Integral Lindblad Dynamics through State-to-State Analysis
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866914464402505728 |
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| author | Sharma, Devansh Bose, Amartya |
| author_facet | Sharma, Devansh Bose, Amartya |
| contents | Analyzing routes of transport for open quantum systems with non-equilibrium initial conditions is extremely challenging. The state-to-state approach [A. Bose, and P.L. Walters, J. Chem. Theory Comput. 2023, 19, 15, 4828-4836] has proven to be a useful method for understanding transport mechanisms in quantum systems interacting with dissipative thermal baths, and has been recently extended to non-Hermitian systems to account for empirical loss. These non-Hermitian descriptions are, however, not capable of describing empirical processes of more general nature, including but not limited to a variety of pumping processes. We extend the state-to-state analysis to account for Lindbladian descriptions of generic dissipative, pumping and decohering processes acting on a system which is exchanging energy with a thermal bath. This Lindblad state-to-state method can elucidate routes of transport in systems coupled to a bath and additionally acted upon by Lindblad jump operators. The method is demonstrated using examples of excitonic aggregates subject to incoherent pumping and draining processes. Using this new state-to-state formalism, we demonstrate the establishment of steady-state excitonic currents across molecular aggregates, yielding a different first-principles approach to quantifying the same. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_09362 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Routes of Transport in the Path Integral Lindblad Dynamics through State-to-State Analysis Sharma, Devansh Bose, Amartya Quantum Physics Chemical Physics Analyzing routes of transport for open quantum systems with non-equilibrium initial conditions is extremely challenging. The state-to-state approach [A. Bose, and P.L. Walters, J. Chem. Theory Comput. 2023, 19, 15, 4828-4836] has proven to be a useful method for understanding transport mechanisms in quantum systems interacting with dissipative thermal baths, and has been recently extended to non-Hermitian systems to account for empirical loss. These non-Hermitian descriptions are, however, not capable of describing empirical processes of more general nature, including but not limited to a variety of pumping processes. We extend the state-to-state analysis to account for Lindbladian descriptions of generic dissipative, pumping and decohering processes acting on a system which is exchanging energy with a thermal bath. This Lindblad state-to-state method can elucidate routes of transport in systems coupled to a bath and additionally acted upon by Lindblad jump operators. The method is demonstrated using examples of excitonic aggregates subject to incoherent pumping and draining processes. Using this new state-to-state formalism, we demonstrate the establishment of steady-state excitonic currents across molecular aggregates, yielding a different first-principles approach to quantifying the same. |
| title | Routes of Transport in the Path Integral Lindblad Dynamics through State-to-State Analysis |
| topic | Quantum Physics Chemical Physics |
| url | https://arxiv.org/abs/2512.09362 |