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

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/17004

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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
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.
URI: http://hdl.handle.net/1811/17004
Other Identifiers: 1986-RE-6
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