The quantum mechanical cell model in two dimensions
- 15 December 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (12), 6282-6288
- https://doi.org/10.1063/1.445733
Abstract
The statistical thermodynamic properties of 2D triangular lattices of neon and argon are calculated for the quantum mechanical version of the non‐self‐consistent cell model. Energy eigenvalues, in a circularly averaged cell potential, are obtained by the numerical integration of the Schrödinger equation for the Lennard‐Jones and Devonshire form of the cell model. A general method is given for treating troublesome singularities in the numerical solution of the 2D Schrödinger equation at low angular momentum. A maximum in the specific heat for highly dilated lattices is observed.Keywords
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