Barker—Henderson method

Whereas in principle, there are numerous ways to decompose the LJ interaction, conventionally two popular methods exist Barker-Henderson (BH) method (Barker and Henderson, 1967) and Weeks-Chandler-Anderson (WCA) method (Weeks et al., 1971) as schematically depicted in Fig. 8A and B, respectively. For instance, in BH method the two complementary parts follow (Barker and Henderson, 1967)... 

Table I, in the column headed HSE-VW, shows the results of using Equations 2 through 6 to define the diameters with the HSE method to calculate the properties of an equimolar mixture of LJ fluids. The reference is a pure LJ fluid. Other columns show comparison with the machine-calculated results of Singer and Singer (8) in column MC. The van der Waals (VDW) one-fluid theory (9) and the VDW two-fluid theory (10) are in columns VDW-1 and VDW-2. The GHBL column gives the Grundke, Henderson, Barker, Leonard (GHBL) (11) pertu-bation theory results with each diameter determined by Equation 3.

The second line in Eq. (37) is derived straightforwardly by referring to Eq. (30). The reference HS system has identical local density distribution p r) as the LJ system and the diameter of the HS can be estimated by using BH method (Barker and Henderson, 1967)... 

A great deal of systematic information has been developed from model systemswhich can be qualitatively applicable to real systems. A series of definitive reviews of the Monte Carlo method and results on model systems have been prepared by Wood. The dynamics approach was Initially characterized in the series of papers by Alder, Wainwright and coworkers. A ccmprehenslve review of liquid state theory was recently published by Barker and Henderson. ... 

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