Paul S. Bagus, Gianfranco Pacchioni, et al.
The Journal of Chemical Physics
Paper
On the nature of the low-lying states of TiO
Abstract
A series of CAS SCF calculations are used to describe the lowest states of TiO. TiO is described as having polarized double bonds involving the Ti 3d orbitals. The nature of the excited states is discussed. © 1983.
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