Finite element multiconfiguration Hartree–Fock determination of the nuclear quadrupole moments of chlorine, potassium, and calcium isotopes

The nuclear quadrupole moments of chlorine, potassium, and calcium nuclei are determined by combining calculated electric field gradients at the nucleus with the experimental nuclear quadrupole coupling constants. The electric field gradients are obtained using large-scale finite-element multiconfiguration Hartree–Fock calculations on Cl(3p5;2P3/2), K(4p; 2P3/2), K(3p53d4s;4F9/2), and Ca(3d4s;1D2). The calculated nuclear quadrupole moments are Q(35Cl)=−81.65(80) mb, Q(37Cl)=−64.35(64) mb, Q(39K)=60.1(15) mb, Q(40K) =−74.9(19) mb, Q(41K)=73.3(18) mb, Q(41Ca)=−66.5(18) mb, and Q(43Ca) =−40.8(8) mb with the estimated uncertainty given within parentheses.