Quantum corrections to equilibrium properties of molecular fluids
- 10 June 1991
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 73 (2) , 427-438
- https://doi.org/10.1080/00268979100101291
Abstract
The quantum corrections to the free energy of molecular fluids of rigid interacting molecules are calculated. The influence of permanent multipole moment, induced multiple moment, anisotropic dispersion and shape factor are taken into account for rigid linear molecules. Expressions are given for the free energy in simple forms. The theory is applied to study the influence of permanent multipole moments and shape factors on the quantum effects. The quantum correction to the free energy of HCl is also studied. The rotational quantum correction dominates in this case.Keywords
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