SYMMETRICAL STRETCHING FREQUENCIES FOR $H_{3}^{+}$

Author Institution: Department of Physics, The Ohio State UniversityDykstra, Gaylord, Gwinn, Swope, and Schaefer (DGGSS) have used an improved \emph{ab initio} potential energy surface to derive the symmetric stretching frequency of $H_{3}^{+}$ from a mode-uncoupled model. The more recent energy surface of DGGSS lies below the Carney-Porter surface by 0.0076 Hartrees, but the two surfaces are found to be highly parallel. DGGSS fitted their surface to a double-Morse function and used the variational method to extract the vibration frequency. Good agreement in the uncoupled stretching frequency is found, but the DGGSS results for the mode-coupled calculation are not yet available for comparison.[FIGURE