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A Path Integral Monte Carlo Study Of Liquid Neon And The Quantum Effective Pair Potential, Devarajan Thirumalai, Randall W. Hall, Bruce J. Berne
A Path Integral Monte Carlo Study Of Liquid Neon And The Quantum Effective Pair Potential, Devarajan Thirumalai, Randall W. Hall, Bruce J. Berne
Randall W. Hall
The path integral Monte Carlo (PIMC) method is used to simulate liquid neon at T=40 K. It is shown that quantum effects are not negligible and that when the quantum effective pair potential is used in a classical molecular dynamics simulation the results obtained for the radial distribution function agrees with that predicted by a full path integral Monte Carlo simulation. The validity of this procedure is further shown by comparing the results obtained by this method to experimental measurements of liquid neon at T=35 K.