Non-Born-Oppenheimer correction to the H3+ potential from experimental data.
نویسندگان
چکیده
The spectrum of D3+ is analyzed using a spectroscopically determined effective H3+ potential [B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 1BS, 71 (1994)] and an accurate ab initio potential [G. C. Lie and D. Frye, J. Chem. Phys. 9B, 6784 (1992)]. Calculations suggest that the major error in the potential of Lie and Frye is due to the Born-Oppenheimer approximation. D3+ spectroscopic data are used to construct both Born-Oppenheimer and mass-dependent adiabatic surfaces for the H3+ system by fitting only one parameter. These surfaces reproduce the fundamental rovibrational transitions of H3+ and D3+ to within 0.03 cm . An accurate adiabatic surface has not previously been determined for a polyatomic molecule. PACS number(s): 31.30.—i 33.40.—e
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عنوان ژورنال:
- Physical review. A, Atomic, molecular, and optical physics
دوره 50 1 شماره
صفحات -
تاریخ انتشار 1994