Thermodynamic properties of diatomic molecule systems under SO(2,1)‐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 a typical interaction for one‐dimensional microscopic systems, which describes local anharmonic effects. From the Eckart potential (EP) model, it is possible to find a connection with the GMP model, as well as obtaining the analytical expression for the energy spectrum because it is based on SOtrue(2,1true) algebras. This gives the macroscopic properties such as vibrational mean energy U, specific heat C, Helmholtz free energy F, and entropy S for a heteronuclear diatomic system, as well as with the exact partition function and its approximation for the high temperature region. Finally, a comparison is made between the graphs of some thermodynamic functions obtained with the GMP and the Morse potential (MP) for H Cl molecules.

Thermodynamic properties of improved deformed exponential-type potential (IDEP) for some diatomic molecules

“…The study of statistical physics in general and quantum statistical mechanics in particular has over the years, made it possible to predict and interpret different thermodynamic properties of various systems [1]. These have contributed to the understanding of both relativistic and nonrelativistic wave equations, which contains much of the information about any given system [2].…”

“…A closed-form vibrational partition function and other thermodynamic functions of q-deformed Morse potential have been studied in one-dimension [27]. In addition, the thermodynamic properties of generalized Morse potential (GMP) have been derived and studied for hydrogen chloride molecule [28]. The thermodynamic functions of the Klein-Gordon equation (KGE) with the Badawi-Bessis-Bessis (BBB) diatomic molecular potential have been obtained for lithium dimer [29].…”

Thermal properties of three dimensional Morse potential for some diatomic molecules via Euler-Maclaurin approximation

“…This temperature means that the system becomes saturated and can no longer absorb more energy because all its excited states are occupied. We note here that this temperature was at first mentioned by [26,29]. It corresponds to the maximum in the specific heat curves.…”

Evaluating Bohm's quantum force in the scattering process by a classical potential

“…( 16), is among the most applicable and useful potentials for investigations about scattering parameters and bound states [27][28][29][30][31][32][33]. It has been used for calculations of chemical reaction rates [27], in studies about spin-orbit coupling [28] and bound states solutions for Dirac equation [29], in the determination of thermodynamic properties of diatomic molecules systems [30], supersymmetric quantum mechanics [31], nuclear interactions [32], and quantum tunneling through graphene nanomeshes [33]. Since, we have adopted atomic units, the coefficient β has unit of inverse of the Bohr radius.…”