Direct correlation function of square well fluid with wide well: First order mean spherical approximation
2009
An analytical expression for square-well fluid direct correlation function (DCF) obtained recently by Tang (Y.Tang, J. Chem. Phys. 127, 164504 (2007)) in the first-order mean spherical approximation is extended for wider well widths (2<lambda<3). Theoretically obtained direct correlation functions and radial distribution functions for square-well fluid with lambda=2.1 and lambda=2.5 are compared with corresponding results of Monte-Carlo simulation.
Keywords:
- Spherical mean
- Computational chemistry
- Ornstein–Zernike equation
- Correlation function (statistical mechanics)
- Correlation function
- Classical mechanics
- Radial distribution function
- Quantum mechanics
- Monte Carlo method
- Statistical mechanics
- Distribution function
- Mathematics
- first order
- Mathematical physics
- Lambda
- radial distribution
- spherical approximation
- Correction
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