Difference between revisions of "Mayer f-function"

Revision as of 13:50, 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_BT}\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.

Revision as of 13:49, 31 July 2007 (edit) Carl McBride (talk \| contribs) (→‎References) ← Older edit		Revision as of 13:50, 31 July 2007 (edit) (undo) Carl McBride (talk \| contribs) Newer edit →
Line 1:		Line 1:
−	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>