Equation of State Calculations by Fast Computing Machines

Journal of Chemical Physics - Tập 21 Số 6 - Trang 1087-1092 - 1953
N. Metropolis1, Arianna W. Rosenbluth1, M. N. Rosenbluth1, Augusta H. Teller1, Edward Teller2
1Los Alamos Scientific Laboratory, Los Alamos, New Mexico
2Department of Physics, University of Chicago, Chicago, Illinois

Tóm tắt

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.

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Tài liệu tham khảo

1952, J. Chem. Phys., 20, 1334