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NON-BORN-OPPENHEIMER CORRECTION TO THE H-3+ POTENTIAL FROM EXPERIMENTAL-DATA

TENNYSON, J; POLYANSKY, OL; (1994) NON-BORN-OPPENHEIMER CORRECTION TO THE H-3+ POTENTIAL FROM EXPERIMENTAL-DATA. PHYS REV A , 50 (1) 314 - 316.

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Abstract

The spectrum of D3+ is analyzed using a spectroscopically determined effective H-3+ Potential [B. M. Dinelli, S. Miller, and J. Tennyson, J. Mol. Spectrosc. 163, 71 (1994)] and an accurate ab initio potential [G. C. Lie and D. Frye, J. Chem. Phys. 96, 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 H-3+ system by fitting only one parameter. These surfaces reproduce the fundamental rovibrational transitions of H-3+ and D3+ to within 0.03 cm-1. An accurate adiabatic surface has not previously been determined for a polyatomic molecule.

Type:Article
Title:NON-BORN-OPPENHEIMER CORRECTION TO THE H-3+ POTENTIAL FROM EXPERIMENTAL-DATA
Keywords:NU-1 FUNDAMENTAL-BAND, MOLECULAR ION, H-3(+), TRANSITIONS, CONSTANTS, STATES, H2D+, D2H+, HD+
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Physics and Astronomy

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