ROTATION-VIBRATIONAL STATES OF H-3(+) COMPUTED USING HYPERSPHERICAL COORDINATES AND HARMONICS

The rotation-vibrational states of H3+ are calculated, using the Meyer-Botschwina-Burton interaction potential surface. The Schrödinger equation of the three particle system is expressed in hyperspherical coordinates, and the wave functions are expanded in hyperspherical harmonics. All states are computed up to a total angular momentum of J=4 and an energy of less than 10 000 cm-1. The mean difference between the calculated and experimental transition energies is less than 0.5 cm-1. We expect a numerical uncertainty of less than 0.01 cm -1 in our computed term values for the given potential surface. © 1994 American Institute of Physics.