On the low-lying electronic states of TiH

Abstract

Approximate Hartree-Fock wavefunctions are obtained for the ground and low-lying states of TiH, whose internuclear separations and vibrational frequencies are predicted. Correlation energy differences are estimated from atomic data, and the relative energies of low-lying states predicted. The ground state is calculated to be 4 Phi . The dissociation energy of the molecule is predicted to be approximately 1.6 eV.