Affordable Access

Publisher Website

The effect of symmetry restrictions upon the hyperfine properties

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
9
Issue
4
Identifiers
DOI: 10.1016/0009-2614(71)80242-7

Abstract

Abstract The effect of spatial symmetry restrictions upon the calculated values of the hyperfine splitting constants is examined and results are reported for B, C, O and F. It is found that, if no symmetry restrictions are placed upon the unrestricted Hartree-Fock orbitals, the resulting hyperfine constants (except spin densities) are in good agreement with experiment and with configuration interaction calculations. Nuclear magnetic moments and quadrupole moments are reported on the basis of these calculations and the observed hyperfine structure.

There are no comments yet on this publication. Be the first to share your thoughts.