Continuous shouldered well model

The continuous shouldered well model (CSW) is given by (^[1] Eq. 1):

Φ_{12} (r) = \frac{U_{R}}{1 + \exp [Δ (r - R_{R}) / a]} - U_{A} \exp [- \frac{(r - R_{A})^{2}}{2 δ_{A}^{2}}] + {(\frac{a}{r})}^{24}

where $Φ_{12}$ is the intermolecular pair potential, $U_{R}$ is the energy of the repulsive shoulder, $U_{A}$ is the energy of the attractive well, $a$ is the diameter of the particles, and $r : = | r_{1} - r_{2} |$ .

References

↑ Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids 136 pp. 267-273 (2007)

Related reading

[1] Giancarlo Franzese "Differences between discontinuous and continuous soft-core attractive potentials: The appearance of density anomaly", Journal of Molecular Liquids 136 pp. 267-273 (2007)

[1]

Continuous shouldered well model

References

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