DEVELOPMENT OF A FULL 3-DIMENSIONAL POTENTIAL ENERGY SURFACE FOR He-HF FROM HIGH-RESOLUTION SPECTROSCOPY
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Publisher:Ohio State University
All previous potential energy surfaces determined for (alkali halide)-(rare gas) bimers have treated the diatom as a rigid rotor. However, the recent high-resolution near-infrared spectra of He-HF and He-DF reported by Lovejoy and Nesbitt provide data from which we are developing a full potential energy surface, including the HF stretching degree of freedom, by performing direct least-squares fits to the experimental data. This analysis exploits the ability of our recently-developed ISE method to rapidly and accurately generate energies and widths for bound and metastable states. Our determination of an anisotropic and stretehing-dependent potential energy surface using the ISE method will be described.
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry, University of Waterloo
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