Thermodynamic properties of diatomic molecules systems under anharmonic Eckart potential

Abstract

Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as one of the typical potential of interaction for one-dimensional microscopic systems, which describes local anharmonic effects. From Eckart potential (EP) model, it is possible to find a connection with the GMP model, as well as obtain the analytical expression for the energy spectrum because it is based on $SO\left(2,1\right)$ algebras. In this work we find the macroscopic properties such as vibrational mean energy $U$, specific heat $C$, Helmholtz free energy $F$ and entropy $S$ for a heteronuclear diatomic system, along with the exact partition function and its approximation for the high temperature region. Finally, we make a comparison between the graphs of some thermodynamic functions obtained with the GMP and the Morse potential (MP) for $HCl$ molecules.

12 pages, 8 figures, 1 table, submitted to the Int. J. Quantum. Chem

References in corpus (1)

• Systematic calculation of molecular vibrational spectra through a complete Morse expansion

Cited by in corpus (4)

• Analytical solution of $D$ dimensional Schrödinger equation for Eckart potential with a new improved approximation in centrifugal term
• A statistical mechanical analysis on the bound state solution of an energy-dependent deformed Hulthén potential energy
• A Comparative Interpretation of the Thermodynamic Functions of a Relativistic Bound State problem proposed with an Attractive or a Repulsive Surface Effect
• Evaluating Bohm's quantum force in the scattering process by a classical potential