J. Tennyson et Ol. Polyansky, NON-BORN-OPPENHEIMER CORRECTION TO THE H-3-DATA( POTENTIAL FROM EXPERIMENTAL), Physical review. A, 50(1), 1994, pp. 314-316
The spectrum of D3+ is analyzed using a spectroscopically determined e
ffective 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 s
uggest that the major error in the potential of Lie and Frye is due to
the Born-Oppenheimer approximation. D3+ spectroscopic data are used t
o construct both Born-Oppenheimer and mass-dependent adiabatic surface
s for the H-3+ system by fitting only one parameter. These surfaces re
produce the fundamental rovibrational transitions of H-3+ and D3+ to w
ithin 0.03 cm-1. An accurate adiabatic surface has not previously been
determined for a polyatomic molecule.