Atomic Hyperfine Structure. II. First-Order Wave Functions for the Ground States of B,C,N,O, and F

Henry F. Schaefer, III, Richard A. Klemm, and Frank E. Harris
Phys. Rev. 181, 137 – Published 5 May 1969
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Abstract

Ab initio computations of hyperfine structure have been made for the ground states of B, C, N, O, and F using a first-order wave function designed to include the strongly structure-dependent part of the electron distribution. The magnetic hyperfine constants are in poorer agreement with experiment than for the previously studied and less extensive polarization wave functions, but the discrepancies are more uniform, particularly for the spin density at the nucleus.

  • Received 13 November 1968

DOI:https://doi.org/10.1103/PhysRev.181.137

©1969 American Physical Society

Authors & Affiliations

Henry F. Schaefer, III* and Richard A. Klemm

  • Department of Chemistry, Stanford University, Stanford, California 94305

Frank E. Harris

  • Department of Physics, University of Utah, Salt Lake City, Utah 84112

  • *National Defense Education Act Title IV Predoctoral Fellow.

See Also

Atomic Hyperfine Structure. I. Polarization Wave Functions for the Ground States of B, C, N, O, and F

Henry F. Schaefer, III, Richard A. Klemm, and Frank E. Harris
Phys. Rev. 176, 49 (1968)

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Vol. 181, Iss. 1 — May 1969

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