# A MORSE OSCILLATOR ADAPTED ROTATION-VIBRATON HAMILTIONIAN FOR $H_{3}^{+}$

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 Title: A MORSE OSCILLATOR ADAPTED ROTATION-VIBRATON HAMILTIONIAN FOR $H_{3}^{+}$ Creators: Jensen, Per; Spirko, V.; Bunker, P. R. Issue Date: 1986 Publisher: Ohio State University Abstract: We have developed a Morse oscillator adapted rotation-vibration Hamiltonian for an equilateral triangular $X_{3}$ or $X_{2}Y$ molecule for the purpose of calculating the rotation-vibration energies from the potential function in an efficient way. In this paper we report the use of this Hamiltonian to calculate the rotation-vibration energies of $H_{3}^{+}, H_{2}D^{+}, HD_{2}^{+}$, and $D_{3}^{+}$ from an internuclear potental function. We have optimized the fit by adjusting the potential function, and we have found it necessary to allow for the breakdown of the Born-Oppenheimer approximation. Description: Address of Jensen: Department of Chemistry, University of Aarhus, Aarhus, Denmark. Address of Spirko: Institute of Physical Chemistry, Czechoslovak Academy of Science, Prague, Czechoslovakia. Address of Bunker: Herzberg Institute of Astrophysics, National Research Council, Ottawa, Canada. Author Institution: URI: http://hdl.handle.net/1811/17004 Other Identifiers: 1986-RE-6