Sub-microhartree accuracy potential energy surface for H3+ including adiabatic and relativistic effects.: II.: Rovibrational analysis for H3+ and D3+

The 69 potential energy points of H-3(+) computed by Cencek et al. [J. Chem. Phys., 108, 2831 (1998), preceding paper] have been fitted to an analytical potential energy surface (PES). Rovibrational frequencies have been derived for the symmetric H-3(+) and D-3(+) isotopomers. A comparison with experiment shows residual discrepancies of a few tenths of cm(-1) which can be ascribed mainly to nonadiabatic effects. (C) 1998 American Institute of Physics.