Large multiconfiguration Hartree–Fock calculations on the hyperfine structure of B(2P) and the nuclear quadrupole moments of 10B and 11B

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Abstract
The hyperfine parameters for B(2P) are studied using numerical multiconfiguration Hartree–Fock (MCHF) calculations. A newly developed finite‐element MCHF program allowing very large configuration–interaction expansions is used. The magnetic hyperfine parameters obtained are 0.0879(28), 0.7817(11), and −0.1675(3) a.u. for the Fermi contact term, the orbital term, and the spin–dipolar term, respectively, as compared to the experimental values of 0.1016(62), 0.7783(16), and −0.1686(5) a.u. The nuclear quadrupole moments obtained by comparing computed electric field gradients with experimental nuclear quadrupole couplings constants are Q(10B)=0.084 59(24) b and Q(11B)=0.040 59(10) b.