# Difference between revisions of "Weeks-Chandler-Andersen perturbation theory"

Carl McBride (talk | contribs) (New page: The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following decomposition of the intermolecular pair potential (in particular, the [[Lennard-Jones model | Lennard-J...) |
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:<math> | :<math> | ||

− | + | \Phi_{\rm repulsive} (r) = \left\{ | |

\begin{array}{ll} | \begin{array}{ll} | ||

u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\ | u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\ | ||

Line 15: | Line 15: | ||

:<math> | :<math> | ||

− | + | \Phi_{\rm attractive} (r) = \left\{ | |

\begin{array}{ll} | \begin{array}{ll} | ||

-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\ | -\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\ |

## Revision as of 15:16, 21 June 2007

The **Weeks-Chandler-Anderson perturbation theory** is based on the following
decomposition of the intermolecular pair potential (in particular, the Lennard-Jones potential ):

The reference system pair potential is given by (Eq, 4 Ref. 1):

and the perturbation potential is given by (Eq, 5 Ref. 1):