An improved potential energy surface for the interaction of $H_{2}$ with Ne

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1995

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Ohio State University

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Abstract

For both the H2 -Ne and D2 -Ne Van der Waals bimers, new infrared spectra have been obtained in the region of the H2(orD2) monomer fundamental band region. We have used these new data in our least-squares fitting procedure to determine an improved potential energy surface for H2Ne, which is based on the Exchange-Coulomb (XC) model of Meath and coworkers. In this paper, we will present the results of our analysis and compare the predictions of the XC potential with those obtained using a number of existing potentials.

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1W. J. Meath and M. Koulis, J. Molec. Struct. 226, 1 (1991), and references therein.


Author Institution: University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.; National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada.

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