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Interpretation of the low-lying states of the NiH radical

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Title: Interpretation of the low-lying states of the NiH radical
Creators: Li, M.; Nelis, Th.; Field, R. W.
Issue Date: 1990
Abstract: The spectra of transition metal hydrides have become a challenging subject for both experimental and theoretical studies. Numerous electronic states, separated by only small energy differences, are coupled by often large spin-orbit and rotational interactions. We will show that the three lowest-lying electronic states of NiH, the $X^{2}\Delta$ ground state and $^{2}\Sigma$ and $^{2}\Pi$ first excited states, can be interpreted as arising from a single $d^{9}$ configuration, with a small admixture of $d^{10}$ character in the $^{2}\Sigma$ wavefunction.
URI: http://hdl.handle.net/1811/18276
Other Identifiers: 1990-TC-8
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