Editing Weeks-Chandler-Andersen perturbation theory
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 1: | Line 1: | ||
The '''Weeks-Chandler- | The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following | ||
decomposition of the [[intermolecular pair potential]] (in particular, the [[Lennard-Jones model | Lennard-Jones potential]]): | decomposition of the [[intermolecular pair potential]] (in particular, the [[Lennard-Jones model | Lennard-Jones potential]] ): | ||
The reference system pair potential is given by (Eq, 4): | The reference system pair potential is given by (Eq, 4 Ref. 1): | ||
:<math> | :<math> | ||
u_{\rm repulsive} (r) = \left\{ | |||
\begin{array}{ll} | \begin{array}{ll} | ||
u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\ | |||
0 & {\rm if} \; r \ge 2^{1/6}\sigma | 0 & {\rm if} \; r \ge 2^{1/6}\sigma | ||
\end{array} \right. | \end{array} \right. | ||
Line 15: | Line 15: | ||
:<math> | :<math> | ||
u_{\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 \\ | ||
u_{\rm LJ}(r) & {\rm if} \; r \ge 2^{1/6}\sigma | |||
\end{array} \right. | \end{array} \right. | ||
</math> | </math> | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.1674820 John D. Weeks, David Chandler and Hans C. Andersen "Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids", Journal of Chemical Physics '''54''' pp. 5237-5247 (1971)] | |||
[[category: perturbation theory]] | [[category: perturbation theory]] |