Mechanisms of spin transmission: Isotropic hyperfine interactions

✍ Scribed by Daniel H. Marcellus; Ernest R. Davidson; Alvin L. Kwiram

• Publisher: Elsevier Science
• Year: 1975
• Tongue: English
• Weight: 541 KB
• Volume: 33
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(75)85765-4

✦ Synopsis

The contributions of spin polarization and spin delocdization mechanisms to the protog hypefine coupling constant is investigated. It is -hewn that these non*bservables are not uniquely defined in most calculations. Arguments are presented which sugest that these non-observables may be profitably defined if bofll unrestricted Hartree-Fock and restricted Ilartree-Fock calculations are mde.