Developments in the Theory of the Secular Equation for Molecular Vibrations
- 1 November 1949
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 17 (11) , 1026-1036
- https://doi.org/10.1063/1.1747108
Abstract
A general solution for the secular equation is obtained, giving the force constants and normal coordinates, for any molecule, in terms of the fundamental vibration frequencies and molecular constants. The solution is based on the reduction of the secular determinant to Jacobian canonical form; it is shown to have a simple physical interpretation. Methods are developed which enable adjustments to be made to the standard solution as required. The theory is fully illustrated by several worked examples.Keywords
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