Relativistic and nonrelativistic magnetic-dipole hyperfine matrix elements for molecular calculations
- 15 April 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 58 (8) , 3248-3254
- https://doi.org/10.1063/1.1679650
Abstract
The magnetic‐dipole hyperfine matrix element is calculated from the Dirac theory for electronic wavefunctions centered at the origin and the nucleus arbitrarily located. The nonrelativistic limit of the result is constructed for any wavefunctions of the form . It is a single expression, which is checked to equal the sum of the conventional orbital, spin‐dipole, and contact terms. Also the matrix element of the A2 term is given for two arbitrarily located nuclei.
Keywords
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