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

Abstract

Ab initio potential energy curves and transition dipole moments have been calculated for the X1Σ+, A1Π, B1Δ, C1Σ+, D1Π, 31Σ+, a3Π, b3Σ−, c3Σ+, d3Π, 23Σ−, 15Σ− and 15Π states of CH+ using the multi-reference configuration interaction method with large active space and basis sets. Accurate transition dipole moments have been computed from 1.0a0 to 8.0a0, and were used to calculate average lifetimes of excited state vibrational levels. These transition dipole moments can be used to calculate the Einstein A coefficients for all rovibronic transitions of CH+ appearing in stellar spectra.