Thermal properties of anharmonic Eckart potential model using Euler–MacLaurin formula

By employing the asymptotic iteration method (AIM), we solved the three-dimensional time-independent Schrödinger equation with the anharmonic Eckart potential model. The expression for the eigensolution of the anharmonic Eckart potential was obtained. With the help of the ro-vibrational energy spect...

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Bibliographic Details
Published in:Pramāṇa 2021-09, Vol.95 (3), Article 98
Main Authors: Osobonye, G T, Adekanmbi, M, Ikot, A N, Okorie, U S, Rampho, G J
Format: Article
Language:English
Subjects:
Anharmonicity
Astronomy
Astrophysics and Astroparticles
Asymptotic methods
Diatomic molecules
Energy spectra
Harmonic functions
Iterative methods
Observations and Techniques
Partitions (mathematics)
Physics
Physics and Astronomy
Schrodinger equation
Temperature effects
Thermodynamic properties
Upper bounds
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Summary:By employing the asymptotic iteration method (AIM), we solved the three-dimensional time-independent Schrödinger equation with the anharmonic Eckart potential model. The expression for the eigensolution of the anharmonic Eckart potential was obtained. With the help of the ro-vibrational energy spectra obtained, we derived the expressions for the ro-vibrational partition function and other thermodynamic functions, via the Euler MacLaurin formula. Effects of temperature and upper bound vibration quantum number on the thermodynamic functions of anharmonic Eckart potential were discussed for some diatomic molecular systems. It has been established that unique critical temperatures of ro-vibrational entropy and ro-vibrational specific heat capacity exist for the selected diatomic molecules.
ISSN:0304-4289
0973-7111
DOI:10.1007/s12043-021-02122-z