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

Citation
M. Pernpointner et P. Schwerdtfeger, ACCURATE NUCLEAR-QUADRUPOLE MOMENTS OF THE GALLIUM ISOTOPES GA-69 ANDGA-71 WITHIN THE PCNQM MODEL, Chemical physics letters, 295(4), 1998, pp. 347-353
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
295
Issue
4
Year of publication
1998
Pages
347 - 353
Database
ISI
SICI code
0009-2614(1998)295:4<347:ANMOTG>2.0.ZU;2-1
Abstract
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.