Soft-core mean spherical approximation: Difference between revisions

Latest revision as of 13:15, 7 June 2007

Junzo Chihara (along with Madden and Rice) extended the Percus Yevick equation for Lennard-Jones systems to provide a soft-core mean spherical approximation, the SMSA,

B(r)=\beta \Phi _{12}(r)-\gamma (r)+\ln \left(1+\gamma (r)-\beta \Phi _{2}(r)\right)

where $\Phi _{12}(r)$ is the pair potential, $\gamma (r)$ is the indirect correlation function, and $\beta =1(/k_{B}T)$ , where $k_{B}$ is the Boltzmann constant.

@@ Line 3: / Line 3: @@
-:<math>B(r) = \beta \Phi_2 (r) - \gamma (r) + \ln \left( 1 + \gamma (r) -  \beta \Phi_2 (r)  \right)</math>
+:<math>B(r) = \beta \Phi_{12} (r) - \gamma (r) + \ln \left( 1 + \gamma (r) -  \beta \Phi_2 (r)  \right)</math>
-where <math>\Phi_2 (r)</math> is the [[Pair potential | pair potential]], <math>\gamma (r)</math> is the [[Indirect correlation function | indirect correlation function]], and <math> \beta = 1(/k_B T) </math>, where <math>k_B</math>
+where <math>\Phi_{12} (r)</math> is the [[Intermolecular pair potential | pair potential]], <math>\gamma (r)</math> is the [[Indirect correlation function | indirect correlation function]], and <math> \beta = 1(/k_B T) </math>, where <math>k_B</math>
 is the [[Boltzmann constant]].