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Carlo Trajectories and Simulation Parameters

The effect of temperature in Monte Carlo simulations is primarily to modulate the strength of intermolecular interactions, since temperature enters the simulation only through the Boltzmann factor exp(-AE/kT), where AErepresents a difference in potential [Pg.97]

Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H. and Teller, E., Equation of state calculations by fast computing machines, J. Chem. Phys. 21, 1087-92 (1953). [Pg.97]


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