Soft-core mean spherical approximation: Difference between revisions

Latest revision as of 12:15, 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) = β Φ_{12} (r) - γ (r) + \ln (1 + γ (r) - β Φ_{2} (r))

where $Φ_{12} (r)$ is the pair potential, $γ (r)$ is the indirect correlation function, and $β = 1 (/ k_{B} T)$ , 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]].