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

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.