On the low-lying electronic states of TiH

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, , Citation P R Scott and W G Richards 1974 J. Phys. B: Atom. Mol. Phys. 7 500 DOI 10.1088/0022-3700/7/4/024

0022-3700/7/4/500

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.

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10.1088/0022-3700/7/4/024