Quantum correction to thermodynamic properties of Li_2, Na_2 and Cs_2 dimers.
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.
Publisher URL: http://arxiv.org/abs/1802.00616
DOI: arXiv:1802.00616v2
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