Soft-core mean spherical approximation: Difference between revisions

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




:<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]].
is the [[Boltzmann constant]].



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,


where is the pair potential, is the indirect correlation function, and , where is the Boltzmann constant.

References[edit]

  1. Junzo Chihara "Integral Euqations for Fluids with Long-Range and Short-Range Potentials - Application to a Charged Particle System", Progress of Theoretical Physics, 50 pp. 409-423 (1973)
  2. Junzo Chihara "Integral Equations for Neutral and Charged Quantum Fluids Including Extension of the Percus-Yevick Equation" Progress of Theoretical Physics, 50 pp. 1156-1181 (1973)
  3. William G. Madden and Stuart A. Rice "The mean spherical approximation and effective pair potentials in liquids", Journal of Chemical Physics 72 pp. 4208-4215 (1980)