Quasi-ergodicity applications

Figure 8.16 from Frantz, D D, D L Freeman and J D DoU 1990. Reducing quasi-ergodic behavior in Monte Carlo simulations by J-walking applications to atomic clusters. The Journal of Chemical Physics 93 2769-2784. 

DD Frantz, DL Freeman, ID Doll. Reducing quasi-ergodic behavior m Monte Carlo simulations by J-waUcmg Applications to atomic clusters. I Chem Phys 93 2769-2784, 1990. 

Frantz, D.D. Freeman, D.L. Doll, J.D., Reducing quasi-ergodic behavior in Monte Carlo simulation by J-walking Applications to atomic clusters, J. Chem. Phys. 1990, 93, 2769... 

The quasi-ergodic hypothesis asserts the equivalence of the MD time average (9) with an ensemble average in an ensemble characterized by the constants of the dynamical motion, viz., the volume V, the number of particles N, and at least for most numerical applications, the energy (For an up-... 

It should be noted that the pressure determined from (42) becomes identical with the strictly dynamical pressure (29) or (35) only through the application of the quasi-ergodic hypothesis in proceeding from (41) to (42). 

Quasi-ergodic Behavior in Monte Carlo Simulations by J-walking Applications to Atomic Clusters. 

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