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Dynamics of the AR…H2 Van Der Waals Complex: A Diabatic Distorted Wave Approach Including Discrete-Discrete Couplings

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Structure and Dynamics of Weakly Bound Molecular Complexes

Part of the book series: NATO ASI Series ((ASIC,volume 212))

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Abstract

We calculate energy positions and widths of predissociating levels of the Ar…H2 complex in a diabatic vib-rotational distorted wave decoupling scheme. For non-zero values of the total angular momentum, discrete-discrete couplings are important for obtaining a good estimation of these magnitudes. Also, we study the effect of the diatomic vibrational state on the predissociation widths showing, as expected, a progressive increment when the vibrational excitation increases. Furthermore, the reliability of our approach is checked by means of close-coupling calculations for some triatomic levels.

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© 1987 D. Reidel Publishing Company

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Villarreal, P., Delgado-Barrio, G., Roncero, O., de Pablo, E., Miret-Artés, S. (1987). Dynamics of the AR…H2 Van Der Waals Complex: A Diabatic Distorted Wave Approach Including Discrete-Discrete Couplings. In: Weber, A. (eds) Structure and Dynamics of Weakly Bound Molecular Complexes. NATO ASI Series, vol 212. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3969-1_43

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  • DOI: https://doi.org/10.1007/978-94-009-3969-1_43

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-8261-7

  • Online ISBN: 978-94-009-3969-1

  • eBook Packages: Springer Book Archive

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