Compliance Matrix and Molecular Vibrations

摘要

It is shown that treatment of the molecular vibration problem in the form verbar;Fmdash;1Gmdash;1mdash;lgr;mdash;1Everbar; =0 has certain advantages when the data from vibrational spectroscopy are to be combined with information from mean amplitudes of vibration or centrifugal distortion toward the end of determining a complete quadratic potential function. The matrixFmdash;1=Cis acompliancematrix; its elements presumably have as much physical significance as those ofF.Some new isotopic sum rules are formulated, appropriate to the compliance scheme, but they are not nearly so general as those involving the lgr;'s. Linear molecules are discussed, and some numerical examples are given for nonlinear XY2and XY4.