On the d bond in ScH
- 1 May 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (9) , 4560-4563
- https://doi.org/10.1063/1.443532
Abstract
Full valence MCSCF/CI calculations are reported for the lowest six states of ScH. All six states arise from the 2D (4s23d1) atomic configuration. The ground state is found to be 1Σ+ and to involve significant d‐bond character, while the other low‐lying states arise from sp hybrid bonds.Keywords
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