Electronic Structure of ScN, TiN, VN, and CrN
Creators:Harrison, James F.
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Publisher:Ohio State University
The electronic structures of the titled transition metal nitrides have been studied, using MCSCF and MCSCF + 1 + 2 levels of theory. In this talk, we will discuss the dissociation energies, bond lengths, vibrational frequencies, and dipole moments for the ground and low-lying excited states. These results will be compared to experiment and previous theoretical studies.
Author Institution: Michigan State University, East Lansing, MI 48824-1322
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