Hot band transition frequencies and line strengths in H 3+: First principles calculations

Abstract

Ro-vibrational transitions from lower states with one quantum of vibrational energy to upper states with two vibrational quanta, and from lower states with two vibrational quanta to upper states with three, have been calculated from first principles. The calculations make use of the accurate potential energy surface calculated for H 3 + by Meyer, Botschwina, and Burton. The predicted frequencies for the ( v = 2 - v = 1) transitions are reported in excellent agreement with new experimental data and the computed line strengths are consistent with the lines that have been observed. An estimate of the error in the ( v = 3 - v = 2) transitions is ade.