For pairwise-interacting particles, the mean and variance of the system-environment interaction energy are expressed exactly through up to four-body correlation functions, enabling Gaussian-based free-energy estimates for strongly coupled systems.
K¨ astner, Umbrella sampling, Wiley Interdiscip
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A probabilistic approach to system-environment coupling
For pairwise-interacting particles, the mean and variance of the system-environment interaction energy are expressed exactly through up to four-body correlation functions, enabling Gaussian-based free-energy estimates for strongly coupled systems.