Green–Kubo relations
Equation relating transport coefficients to correlation functions / From Wikipedia, the free encyclopedia
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The Green–Kubo relations (Melville S. Green 1954, Ryogo Kubo 1957) give the exact mathematical expression for a transport coefficient in terms of the integral of the equilibrium time correlation function of the time derivative of a corresponding microscopic variable (sometimes termed a "gross variable", as in [1]):
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One intuitive way to understand this relation is that relaxations resulting from random fluctuations in equilibirum are indistinguishable from those due to an external perturbation in linear response.[2]
Green-Kubo relations are important because they relate a macroscopic transport coefficient to the correlation function of a microscopic variable. In addition, they allow one to measure the transport coefficient without perturbing the system out of equilibrium, which has found much use in molecular dynamics simulations.[3]