Phys. Rev. 181, 137 - 143 (1969)

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

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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

Received 13 November 1968

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.


©1969 The American Physical Society

URL: http://link.aps.org/abstract/PR/v181/p137
DOI: 10.1103/PhysRev.181.137

* National Defense Education Act Title IV Predoctoral Fellow.

See Also

Related paper: Henry F. Schaefer, Richard A. Klemm, and Frank E. Harris, Atomic Hyperfine Structure. I. Polarization Wave Functions for the Ground States of B, C, N, O, and F, Phys. Rev. 176, 49 (1968)

Related paper: Henry F. Schaefer and Richard A. Klemm, Atomic Hyperfine Structure. III. Excited States of C,N, and O, Phys. Rev. 188, 152 (1969)

Related paper: Henry F. Schaefer and Richard A. Klemm, Atomic Hyperfine Structure. IV Positive and Negative First-Row Ions, Phys. Rev. A 1, 1063 (1970)

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