SEMI-CLASSICAL MONTE-CARLO METHODS

The problem of constructing quantum-mechanical corrections to classical equilibrium statistical-mechanical results is considered. These corrections (excluding interchange symmetry effects) can be computed within a classical framework if a temperature-dependent effective potential is utilized. Two approaches to the construction of this potential are investigated. The first of these is a modification of an earlier procedure by Feynman. This method is similar in spirit to the empirical Pitzer-Gwinn approximation, and in fact is utilized to derive this earlier result. The second approach involves a general Monte Carlo prescription both for the construction of the effective potential and for obtaining the ratio of the quantum and classical-mechanical partition functions. © 1979 American Institute of Physics.