Thermodynamics properties of diatomic molecules with general molecular potential

Pramana: Journal of physics

M C ONYEAJU^1¹  E O CHUKWUOCHA^1²  AKPAN N IKOT^1³ 

[1] Department of Chemistry, University of Calabar, Calabar, Nigeria^3;Department of Physical Sciences, Landmark University, Omu-Aran, Nigeria^2;Theoretical Physics Group, Department of Physics, University of Port Harcourt, Port Harcourt, Nigeria^1

关键词: Asymptotic iteration method;    diatomic molecules;    general molecular potential;    partition function;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

In this paper, the energy spectra of the general molecular potential are obtained using the asymptotic iteration method within the framework of non-relativistic quantum mechanics.With the energy spectrum obtained, the vibrational partition function is calculated in a closed form and is used to obtain an expression for other thermodynamic functions such as vibrational mean energy $U$, vibrational mean free energy $F$, vibrational entropy $S$ and vibrational specific heat capacity $C$. These thermodynamic functions are studied for the electronic state $\rm{X}^{1} \Sigma^{+}_{g}$ of $K_2$ diatomic molecules.

【 授权许可】

CC BY