Thermodynamic properties of diatomic molecule systems under SO(2,1)-anharmonic Eckart potential

Gabriel Valencia-Ortega, Luis Antonio Arias-Hernandez

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Abstract

© 2018 Wiley Periodicals, Inc. 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 SO(2,1) 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 HCl molecules.
Original languageAmerican English
JournalInternational Journal of Quantum Chemistry
DOIs
StatePublished - 15 Jul 2018

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Morse potential
diatomic molecules
Thermodynamic properties
thermodynamic properties
Molecules
Algebra
Free energy
Specific heat
partitions
algebra
energy spectra
Entropy
free energy
specific heat
Thermodynamics
entropy
thermodynamics
energy
approximation
molecules

Cite this

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