We have calculated the effect of quantum correction (QC) on the vibrational partition function by using improved Rosen-Morse potential for Cs2 molecules. The related thermodynamics properties i.e vibrational mean energy, vibrational specific heat, vibrational free energy and vibrational entropy are derived. The change in the partition function and thermodynamic properties by adding quantum corrections up to 20th order are discussed and then compared with their classical counterpart.
|Publication status||Published - Apr 1 2020|
- Partition function
- Quantum correction
- Thermodynamics proprieties
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry