Exact classical vibrational-rotational partition function for Lennard-Jones and Morse potentials
- 28 April 1992
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 25 (8) , 1697-1703
- https://doi.org/10.1088/0953-4075/25/8/006
Abstract
Exact analytical expressions for the classical vibrational-rotational partition function of the Lennard-Jones (m, n) and Morse potentials are derived. The values obtained from such expressions are compared to accurate evaluations of the corresponding quantum-mechanical partition function for the LJ (10, 6) and Morse potentials. Both sets of values are found to be in close agreement over a wide range of temperatures.Keywords
This publication has 9 references indexed in Scilit:
- Accurate analytic approximations for the energy eigenvalues of the rotating Lennard-Jones (10, 6) oscillatorJournal of Physics B: Atomic, Molecular and Optical Physics, 1991
- Equilibrium constants for the formation of van der Waals dimers: Calculations for Ar–Ar and Mg–MgThe Journal of Chemical Physics, 1990
- Energy eigenvalues for Lennard-Jones potentials using the hypervirial perturbative methodJournal of Physics B: Atomic, Molecular and Optical Physics, 1990
- Curve fitting to a continuous function: A useful tool in theoretical chemistryJournal of Chemical Education, 1990
- Some properties of bound and quasi-bound states for various interatomic potential functionsMolecular Physics, 1970
- Bound States of Alkali and Noble-Gas AtomsPhysical Review B, 1969
- Contribution of Bound, Metastable, and Free Molecules to the Second Virial Coefficient and Some Properties of Double MoleculesThe Journal of Chemical Physics, 1959
- On the Interpretation of Halogen Atom Recombination Rates1Journal of the American Chemical Society, 1958
- The Rotation-Vibration Coupling in Diatomic MoleculesPhysical Review B, 1934