LOCAL NORMAL MODES AND VlBRATlONAL ADIABATIC POTENTIALS
نویسنده
چکیده
Local normal-mode analysis for a collinear potential energy surface g?nrratss a system of curvilinear coordinaieh. which ;\re orthogonal in the mass-skewed system. The motion is locally separable in these coordinatrs. We compars the utility ai one of the normal modes as a transversal-vihralion coordinate. with the convcnrional choicr of the dire&on perpendicular w the reaction coordinate in the mass-skewed system. The comparison is done for IWO commonly used reaction coordinates: BEBO and the steepest-descent path. Results differ for dlfferent choices of directions and reaction conrdinarss. Fururr work ~hcwld concentrate on a choice of a reaction coordinate which is itself one of the normal modes.
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