Calculated electric dipole moment of NiH X 2Δ
- 15 November 1985
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 83 (10) , 5351-5352
- https://doi.org/10.1063/1.449704
Abstract
A calculated dipole moment of 2.39 D is reported for the X 2Δ state of NiH (based on extensive CASSCF/CI calculations). The computed dipole moment is found to be a sensitive function of the 3d population of the wave function; thus, the excellent agreement with the experimental dipole moment, 2.4±0.1 D, provides strong confirmation of the mixed state character of NiH (computed 3d population of 8.66 electrons).Keywords
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