Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH

Ab initio potential energy curves have been calculated for the X-2 Sigma(+), A(2)Pi, B-2 Sigma(+), 1(2)Delta, E-2 Pi and D-2 Sigma(+) states of CaH using the multi -reference configuration interaction method with large active space and basis sets. Transition dipole moments were calculated at Ca-H distances from 2.0 ao to 14.0 ao, and excited state lifetimes were obtained. Our theoretical transition dipole moments can be combined with the available experimental data on the X-2 Sigma(+), A(2)Pi and B-2 Sigma(+) states to calculate Einstein A coefficients for all rovibronic transitions of CaH appearing in solar and stellar spectra. (C) 2016 Elsevier B.V. All rights reserved.