Structure and analytical potential energy function for the ground state of the BC^x (x=0, －1)

In this paper, the electronic states of the ground states and dissociation limits of BC and BC^- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC^- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell--Sorbie potential energy function from our ab initio calculation results. The spectroscopic data (\alpha_\rm e, \omega_\rm e and \omega_\rm e\chi_\rm e) of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.