Thermodynamic properties of solid naphthalene: Cell model and quasiharmonic calculations

Cell model and quasihannonic calculations have been made for solid naphthalene, using the atom-atom approximation for intermolecular interactions. Throughout the temperature range examined (78–323 K) the cell model is found to be superior to the quasiharmonic approximation in describing the basic thermodynamic functions of the crystal. An attempt is also made to extend the cell model to calculate the elasticity tensor and thermal expansion.