Jump to main content
Jump to site search

Issue 6, 2003
Previous Article Next Article

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

Author affiliations

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 Image ID:b211601d-t1.gif, 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.

Back to tab navigation

Publication details

The article was received on 26 Nov 2002, accepted on 20 Jan 2003 and first published on 03 Feb 2003


Article type: Paper
DOI: 10.1039/B211601D
Citation: Phys. Chem. Chem. Phys., 2003,5, 1106-1109
  •   Request permissions

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

    W. Zou, M. Lin, X. Yang and B. Zhang, Phys. Chem. Chem. Phys., 2003, 5, 1106
    DOI: 10.1039/B211601D

Search articles by author

Spotlight

Advertisements