ACCURATE NUCLEAR-QUADRUPOLE MOMENTS OF THE GALLIUM ISOTOPES GA-69 ANDGA-71 WITHIN THE PCNQM MODEL

Accurate non-relativistic, Douglas-Kroll and Dirac-Fock correlated cal culations of the electric field gradient of Ga-69 and Ga-71 in GaF are presented using the point-charge model of the nuclear quadrupole mome nt (PCNQM). The resulting nuclear quadrupole moments of 165.0(8) mb fo r Ga-69 and 104.0(8) mb for Ga-71 should be more accurate than the cur rent standard values. Since the PCNQM method allows for an arbitrary c omplexity of the wavefunction without calculating the corresponding ex pectation values the error of the picture change using the Douglas-Kro ll wavefunction can be estimated. (C) 1998 Elsevier Science B.V. All r ights reserved.