THEORETICAL STUDY OF THE RARE GAS-HYDRIDE: LOW ENERGY ELASTIC CROSS SECTION
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Publisher:Ohio State University
The van der Waals’ region of the potential energy curve has been calculated for the entire family of rare gas hydrides. This is an extension of results reported earlier for just Ar-H and He-H. The calculations on He-H, Ne-H, and Ar-H were based on the usual ab initio MCSCF techniques. The calculations on Kr-H and Xe-H employed a new pseudopotential approach in combination with the MCSCF techniques. The total elastic cross section as a function of velocity was calculated for each potential energy curve and the results were compared with available experimental data.
Author Institution: Chemistry Division, Argonne National Laboratory