Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 154, Issue 8, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0038967
Keywords
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Funding
- University of Rochester through a PumpPrimer II award
- National Science Foundation [CHE-1553939]
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This method decomposes the energy dissipation in open quantum systems into contributions due to individual bath components, based on a vibronic extension of the Forster resonance energy transfer theory. Benchmarking against mixed quantum-classical simulations shows that it provides a semi-quantitative frequency-dependent decomposition of the overall dissipation.
We introduce a simple and effective method to decompose the energy dissipation in the dynamics of open quantum systems into contributions due to individual bath components. The method is based on a vibronic extension of the Forster resonance energy transfer theory that enables quantifying the energy dissipated by specific bath degrees of freedom. Its accuracy is determined by benchmarking against mixed quantum-classical simulations that reveal that the method provides a semi-quantitative frequency-dependent decomposition of the overall dissipation. The utility of the method is illustrated by using a model donor-acceptor pair interacting to a thermal harmonic bath with different coupling strengths. The method can be used to identify the key features of a bath that leads to energy dissipation as required to develop a deep understanding of the dynamics of open quantum systems and to engineer environments with desired dissipative features.
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