Spatial Correlation Functions and Thermodynamic Routes
This chapter introduces the reduced (or marginal) distribution functions describing groups of s particles. The fundamental one is the pair configurational distribution function, from which the radial distribution function g(r) is defined as a key quantity in the statistical-mechanical description of liquids. Most of the chapter is devoted to the derivation of thermodynamic quantities in terms of integrals involving g(r). Apart from the conventional compressibility, energy, and virial routes, the less known chemical-potential and free-energy routes are worked out.
KeywordsRadial Distribution Function Isothermal Compressibility Statistical Ensemble Simulation Computer Simulation Direct Correlation Function
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