Green-Kubo formula for diffusion 2026-10-25
For a stationary zero-mean velocity with an absolutely integrable velocity autocorrelation function , the diffusion coefficient is its time integral. Indeed, differentiation of the mean squared displacement identity gives , and the right side tends to the displayed integral. In the equilibrium generalized Langevin equation, this gives whenever stable relaxation and the required integrability hold. The formula is named after Melville S. Green and Ryogo Kubo.