Effect of Spin—Orbit Interactions on the Zero-Field Splitting of the NH Radical
- 1 August 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (3), 767-773
- https://doi.org/10.1063/1.1727678
Abstract
We have calculated the spin—orbit contributions to the zero‐field splitting of the NH radical and found them to be 0.496 cm−1. As this value is over 25% of the experimental ZFS, we conclude that it is not permissible to neglect spin—orbit contributions when calculating ZFS parameters.Keywords
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