Some properties of regular and canonical force fields

Abstract

A novel class of force-constant matrices which use redundant coordinates (regular force fields) is defined. The basic properties of this new class, which represents a generalization of the canonical force field, are studied. Some pecularities of the canonical force field are also discussed, including their extreme properties among the regular force fields as well as other matrices of force constants, and some analogs to the equations of motion in independent variables. The physical meanings of the canonical and regular force fields are considered, with special attention given to the case of cartesian vibrational coordinates.