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 3Π0−,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 3Π0+ and a 3Π1 are long-lived states, while A 1Π1 is a short-lived state.