论文标题
通过改进的近似值，具有Deng-Fan电势的分子的RO振动能和热力学特性
Ro-vibrational energy and thermodynamic properties of molecules subjected to Deng-Fan potential through an improved approximation
论文作者
论文摘要
Nikiforov-Uvarov方法提出了具有邓凡电势的Schrödinger方程的精确解。从$ r \ \ 0 $和$ r \ \ r_e $ limits的线性组合提出了一个修改后的北京型近似值。它可能会提供一系列近似值（取决于可调参数$λ$）。然后，在某些特殊情况下，可以恢复文献中现有的近似值。通过对四个分子，\ emph {viz。}，h $ _2 $，lih，hcl和co产生的特征值的批判性比较来证明其效率和可行性 热。量子校正对分区函数和热力学特性的影响通过在h $ _2 $和lih中包括高达10阶的校正来讨论。还研究了$λ$参数对这些属性的影响。
Accurate solution of the Schrödinger equation with Deng-Fan potential is presented by means of Nikiforov-Uvarov method. A modified Pekeris-type approximation is proposed for the centrifugal term, from a linear combination of the $r \to 0$ and $r \to r_e$ limits. It can potentially offer a series of approximations (depending on an adjustable parameter $λ$). The existing approximations in the literature can then be recovered in certain special cases. Its efficiency and feasibility is demonstrated by a critical comparison of eigenvalues produced at various $λ$'s for four molecules, \emph{viz.}, H$_2$, LiH, HCl and CO. Analytical expressions are derived for energies, eigenfunctions and the thermodynamic properties such as vibrational mean free energy, vibrational free energy, vibrational entropy and vibrational specific heat. The effect of quantum correction on partition function and thermodynamic properties is discussed by including the correction up to 10th-order, for H$_2$ and LiH. The effect of $λ$ parameter on these properties is also studied.
