Ab initio calculations on the ground and low-lying excited states of InH

Abstract

Using multiconfiguration quasi-degenerate perturbation theory (MCQDPT), the ground and the low-lying excited states of InH are studied, and the potential energy curves and the spectroscopic constants of the , a ³Π_{0⁻,0⁺,1,2} and A ¹Π₁ states are obtained. By comparing the result of all-electron basis sets with that of relativistic effective core potential (RECP) basis sets, it is found that the former is better than the latter, especially in describing the A ¹Π₁ state. The transition properties of the excited states, including the transition dipole moments, the radiative lifetimes and the Franck–Condon factors, are predicted. It is shown that a ³Π_0⁺ and a ³Π₁ are long-lived states, while A ¹Π₁ is a short-lived state.