Applicability of Self-Consistent-Field Molecular-Orbital Methods to the Study of Hyperfine Shifts
- 1 September 1971
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 4 (3) , 1322-1324
- https://doi.org/10.1103/physreva.4.1322
Abstract
The calculation of hyperfine pressure shifts (HPS) by a self-consistent-field molecular-orbital (SCF-MO) method is applicable to hydrogen—rare-gas systems only when helium is the rare gas. Calculations on the systems H-Ne and H-Ar are presented, and the discrepancy with experiment is analyzed. The SCF-MO method seems to be limited to cases with large positive HPS.Keywords
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