Improved Pöschl-Teller potential energy model for diatomic molecules

Abstract

By employing the dissociation energy and the equilibrium internuclear distance for a diatomic molecule as explicit parameters, we construct an improved P€ oschl-Teller potential energy model. We analyze the average absolute deviations of the improved P€ oschl-Teller and Morse potentials from the experimental Rydberg-Klein-Rees (RKR) potentials for six diatomic molecules. It is found that the improved P€ oschl-Teller potential is more accurate than the Morse potential in fitting experimental RKR potential curves over a large range of internuclear distances for six molecules examined. K E Y W O R D S diatomic molecule, improved P€ oschl-Teller potential, interaction potential energy Int J Quantum Chem. 2017;117:e25383.

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

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Improved multiparameter exponential‐type potential for diatomic molecules

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“…For this reason, these macroscopic observables depend not only on the totality of accessible microstates, but also on the probability of the realizations and transitions between their energy states . Therefore, from the point of view of quantum statistical mechanics it is particularly interesting that to resolve the thermodynamics of these systems we must count on their dynamic equation (Schrödinger equation) which contains as close as possible the real information on the evolution of the above systems . A detailed study for any molecule should consider all the energy contributions, because in most cases one establishes that intrinsic movements (vibrations, rotations, etc.)…”

“…[1,2] Therefore, from the point of view of quantum statistical mechanics it is particularly interesting that to resolve the thermodynamics of these systems we must count on their dynamic equation (Schr€ odinger equation) which contains as close as possible the real information on the evolution of the above systems. [3] A detailed study for any molecule should consider all the energy contributions, [4] because in most cases one establishes that intrinsic movements (vibrations, rotations, etc.) shape a particular gas (system) being independent of each other.…”