feos.dft.ExternalPotential.SimpleLJ93¶
- static ExternalPotential.SimpleLJ93(sigma_ss, epsilon_k_ss)¶
Simple 9-3 Lennard-Jones potential
\[V_i^\mathrm{ext}(z)=\varepsilon_{si}\left(\left(\frac{\sigma_{si}}{z}\right)^9-\left(\frac{\sigma_{si}}{z}\right)^3\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right)\]- Parameters:
sigma_ss (float) – Segment diameter of the solid.
epsilon_k_ss (float) – Energy parameter of the solid.
- Return type: