Mayer f-function: Difference between revisions

Revision as of 14:50, 31 July 2007

The Mayer f-function, or f-bond is defined as (Ref. 1 Chapter 13 Eq. 13.2):

f_{12}=f({\mathbf {r} }_{12})=\exp \left(-{\frac {\Phi _{12}(r)}{k_{B}T}}\right)-1

where

Diagrammatically the Mayer f-function is written as

For the hard sphere model the Mayer f-function becomes:

f_{12}=\left\{{\begin{array}{lll}-1&;&r_{12}\leq \sigma ~~({\rm {overlap}})\\0&;&r_{12}>\sigma ~~({\rm {no~overlap}})\end{array}}\right.

where $\sigma$ is the hard sphere diameter.

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	The '''Mayer ''f''-function''', or ''f-bond'' is defined as:		The '''Mayer ''f''-function''', or ''f-bond'' is defined as (Ref. 1 Chapter 13 Eq. 13.2):

	:<math>f_{12}=f({\mathbf r}_{12})= \exp\left(-\frac{\Phi_{12}(r)}{k_BT}\right) -1 </math>		:<math>f_{12}=f({\mathbf r}_{12})= \exp\left(-\frac{\Phi_{12}(r)}{k_BT}\right) -1 </math>