Thermodynamic properties of five diatomic molecules such as H₂, HF, I₂, N₂ and O₂ have been theoretically predicted. To this end, the interaction potential of the diatomic molecules has been considered as the Tietz–Hua (TH) potential model. Then, the Schrödinger equation was solved for the potential and energy eigenvalues were obtained in the closed form by using the Nikiforov–Uvanov (NU) method. Using the energy eigenvalues, we have determined partition function, mean energy, specific heat at constant pressure and volume, entropy and enthalpy of the diatomic molecules and compared with experimental data. Our results were in good agreement with experimental data. It is found that the Tietz–Hua potential model is a suitable case to predict thermodynamic functions of H₂, HF, I₂, N₂ and O₂ molecules at wide ranges of temperatures.

H ₂，HF，I ₂，N ₂和O ₂等五个双原子分子的热力学性质在理论上已经被预测。为此，双原子分子的相互作用电势已被视为Tietz-Hua（TH）电势模型。然后，求解Schrödinger方程以求势，并使用Nikiforov-Uvanov（NU）方法以闭合形式获得能量本征值。使用能量特征值，我们确定了分配函数，平均能量，恒定压力和体积下的比热，双原子分子的熵和焓，并与实验数据进行了比较。我们的结果与实验数据吻合良好。发现Tietz-Hua势模型是预测H ₂，HF，I ₂，N ₂和O _2的热力学函数的合适案例。 分子在很宽的温度范围内。