Abstract

Abstract The optical absorption energies and nearest-neighbour ground state hyperfine interaction constants are evaluated for F centres in lithium and potassium halides, and for FA(Li) centres in KC1 and KBr. For these defects, the electron-ion interaction includes self-consistent unrestricted Hartree-Fock treatment of nearest-neighbour ions, in terms of Gaussian-localized atomic orbital basis functions. The results, with the exception of FA-centre hyperfine constants, are qualitatively correct.

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