A general method, suitable for fast computing machines, for investigating such properties as equations of state for substances consisting of interacting individual molecules is described. The method consists of a modified Monte Carlo integration over configuration space. Results for the two‐dimensional rigid‐sphere system have been obtained on the Los Alamos MANIAC and are presented here. These results are compared to the free volume equation of state and to a four‐term virial coefficient expansion.
Equation of State Calculations by Fast Computing Machines
Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, Edward Teller; Equation of State Calculations by Fast Computing Machines. J. Chem. Phys. 1 June 1953; 21 (6): 1087–1092. https://doi.org/10.1063/1.1699114
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