Made-to-measure potential functions in lattice dynamics—solid Cl2
- 1 June 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 31 (6) , 1663-1668
- https://doi.org/10.1080/00268977600101331
Abstract
A simple method is outlined for identifying potential functions designed to reproduce given normal mode frequencies, equilibrium conditions and other constraints. It is applied to a model of solid Cl2 and a family of potentials found which satisfy a large number (14) of constraints but which have other, implausible features. The application is presented as a cautionary illustration of Szigeti's theorem [2]. A more useful area of application is seen to be in refining potentials whose principal features are already known.Keywords
This publication has 5 references indexed in Scilit:
- Intermolecular potentials and lattice dynamics of Cl2and Br2crystalsMolecular Physics, 1974
- Analytic formulation of molecular lattice dynamics based on pair potential functionsPhysica Status Solidi (b), 1972
- Force constants and lattice frequenciesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1971
- The crystal structure of solid chlorineActa Crystallographica, 1956
- The crystal structure of solid chlorineActa Crystallographica, 1952