Background and bridge functions for the homonuclear hard diatomic fluid

摘要

The Monte Carlo method has been used to compute the coefficients of the spherical harmonic expansion of the functiony=gthinsp;exp(bgr;u) for a hard diatomic fluid. The lsquo;lsquo;seriesrsquo;rsquo; functionS(12) is also computed from MC data by means of an integral equation procedure. Thus, theBklm(r) terms of the harmonic series of the bridge functionB(12) can be easily obtained. The spherical harmonic expansion has proved an efficient tool to deal with these angular functions since the series is very rapidly convergent. We also have investigated the Percusndash;Yevick approximation both for theS(12) and theB(12), and a remarkable qualitative agreement with our MC data is found.