Soft-core mean spherical approximation: Difference between revisions
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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 \ | :<math>B(r) = \beta \Phi_{12} (r) - \gamma (r) + \ln \left( 1 + \gamma (r) - \beta \Phi_2 (r) \right)</math> | ||
where | 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]]. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1143/PTP.50.409 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)] | #[http://dx.doi.org/10.1143/PTP.50.409 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)] | ||
#[http://dx.doi.org/ | #[http://dx.doi.org/10.1143/PTP.50.1156 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)] | ||
#[http://dx.doi.org/10.1063/1.439651 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)] | #[http://dx.doi.org/10.1063/1.439651 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)] | ||
[[Category: Integral equations]] | [[Category: Integral equations]] | ||
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]
- 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)
- 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)
- 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)