The effect of symmetry restrictions upon the hyperfine properties

✍ Scribed by P.Jeffrey hay; W.A. Goddard III

• Book ID: 103013083
• Publisher: Elsevier Science
• Year: 1971
• Tongue: English
• Weight: 668 KB
• Volume: 9
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(71)80242-7

✦ Synopsis

The cfEect of spatial symmetry restrictions upon the calculntcd values of the hypcrfine splitting constants is ex:unincd and results are reported for B, C, 0 and I?. It is found that, if no symmetry restrictions are placed upon the unrestricted Hartree-Fock orbit&, the resulting hyperfine constants (except spin dcnsitics) are in good agreement with experiment nnd with configuration interaction calculations. Nuclear mnbmctic moments and qundrupole momonts are reported on the basis of these calculations and the observed hyperiine structure.