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Generalized system-bath entanglement theorem for Gaussian environments.
Yu Su1, Yao Wang1, Rui-Xue Xu1
1Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China and Hefei National Laboratory, University of Science and Technology of China, Hefei, Anhui 230088, China.
This study generalizes a system-bath entanglement theorem to correlation functions, enabling evaluation of entangled responses in complex systems. The new theorem simplifies calculations for cross-scale entanglements, crucial for understanding phenomena across different magnitudes.
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Area of Science:
- Quantum chemistry
- Statistical mechanics
- Condensed matter physics
Background:
- System-bath entanglement is critical in complex systems.
- A prior theorem addressed linear response functions for Gaussian environments.
- This theorem linked entangled responses to local system and bare bath properties.
Purpose of the Study:
- Generalize the system-bath entanglement theorem to correlation functions.
- Develop a method to evaluate system-bath entangled correlations and bath mode correlations.
- Demonstrate cross-scale entanglements in a practical system.
Main Methods:
- Utilized generalized Langevin dynamics for hybridizing bath modes.
- Employed the Bogoliubov transformation to map finite-temperature reservoirs to effective zero-temperature vacua.
- Applied the generalized theorem to calculate solvation free energy for electron transfer systems.
Main Results:
- Successfully generalized the system-bath entanglement theorem to correlation functions.
- Enabled evaluation of entangled correlations in the total composite space.
- Demonstrated the theorem's utility in calculating cross-scale entanglements for electron transfer systems.
Conclusions:
- The generalized theorem provides a powerful tool for analyzing complex quantum systems.
- It simplifies the calculation of system-bath correlations and cross-scale entanglements.
- This work advances the understanding of quantum dynamics in condensed matter and chemical systems.

