Quantum correction to thermodynamic properties of Li_2, Na_2 and Cs_2 dimers
Abstract
We have calculated the quantum correction(QC) in the vibrational partition function and thermodynamic state functions, e.g., internal energy, specific heat, free energy and entropy by using improved Manning-Rosen(MR) potential for Li_2, Na_2 and Cs_2 dimers numerically using Mathematica. Expression for classical partition function calculated using Poisson summation formula and a closed expression in the form of error function is calculated. The change in the partition function and thermodynamic properties with addition of quantum correction are discussed in detail and then compared with their classical counterpart.
Keywords
Cite
@article{arxiv.1802.00616,
title = {Quantum correction to thermodynamic properties of Li_2, Na_2 and Cs_2 dimers},
author = {P. K. Budakoti},
journal= {arXiv preprint arXiv:1802.00616},
year = {2018}
}
Comments
There are errors in molecular constants for Li_2 diner and there are some more changes required like language of the manuscript. arXiv admin note: The initial version was submitted without approval of the co-author