Effect of quantum corrections on thermodynamic properties for dimers

Ridha Horchani*, Haikel Jelassi

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number110692
JournalChemical Physics
Volume532
DOIs
Publication statusPublished - Apr 1 2020

Keywords

  • Dimers
  • Partition function
  • Quantum correction
  • Thermodynamics proprieties

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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