Order Parameters, Reaction Coordinates, and Extended Ensembles

5 Order Parameters, Reaction Coordinates, and Extended Ensembles 

Notice that ()c also assumes the inverse units of any dimensional coordinates. 

It is also possible to build the order parameter directly into the potential energy function. This would enable one to determine the free energy difference between a given potential and a reference potential. In a sense, this is complementary to the previous discussion of reaction coordinates rather than further subdividing configuration space by various order parameters, we are considering multiple configuration 

McDonald, I. R. Singer, K., Machine calculation of thermodynamic properties of a simple fluid at supercritical temperatures, J. Chem. Phys. 1967, 47, 4166—4112 

Monte Carlo calculations for hard disks in the isothermal-isobaric ensemble, J. Chem. Phys. 1968, 48, 415 134 

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