The Frost-Musulin potential with Pekeris approximation produces accurate Gibbs free energy for H2 and LiH but deviates in heat capacity and enthalpy at high temperatures due to neglected dissociation and inelastic effects.
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Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential
The Frost-Musulin potential with Pekeris approximation produces accurate Gibbs free energy for H2 and LiH but deviates in heat capacity and enthalpy at high temperatures due to neglected dissociation and inelastic effects.