Atomic Electric Field Gradients of Five-Electron Ions
- 15 December 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (12), 2755-2756
- https://doi.org/10.1063/1.1733101
Abstract
The electric field gradient (∂2V/∂Z2)atom has been evaluated for BI, CII, NIII, OIV, FV, NeVI with an open‐configuration wavefunction for the 2P state. The fine structure splitting separation δ is calculated using the computed values of (∂2V/∂Z2)atom and the energy optimized orbital exponents for the 2p electron. The electric field gradient of BI agrees satisfactorily with the previous value obtained from the observed fine structure levels. The use of a relativistic correction on the fine structure which minimizes the error in comparison with the experiment is investigated.Keywords
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