Thermodynamic Integration Example

• The soft-sphere pair potential is given by

• Softness and range varies with n

  • large n limit leads to hard spheres
  • small n leads to Coulombic behavior

• Thermodynamic integration can be used to measure free energy as a function of softness s = 1/n

  • Integrand is

Exhibits simplifying behavior because esn is the only potential parameter

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