Hartree-Fock calculations of Cu+ in Si are performed in clusters containing
44-100 Si atoms. The configurations studied include interstitial and subst
itutional Cu+, copper-acceptor pairs, and copper-hexavacancy complexes. The
preliminary results presented below include equilibrium configurations, el
ectronic structures, and binding energies. (C) 1999 Elsevier Science S.A. A
ll rights reserved.