Relativistic configuration interaction using many-body techniques. Hyperfine interaction in Gd3+

A contribution is made to the development of fully relativistic configuration interaction using Brueckner-Goldstone many-body techniques. The theory is applied to the magnetic hyperfine interaction and the quadrupole hyperfine interaction in the Gd3+ ion. For the general half-filled-shell case several formulae are given. In particular, the quadrupole analysis shows how this method provides a unique insight into the contributions to this complicated interaction. For the magnetic hyperfine interaction the authors made a detailed comparison with results obtained with direct-integration techniques, in particular the UHF method. Two-body magnetic interactions represented by the Breit interaction proved to be negligible in effect.

[1]  T. P. Das,et al.  Electronic structure of ferromagnetic hcp cobalt. III. Magnetic hyperfine field , 1977 .

[2]  T. P. Das,et al.  Relativistic effects on the core-polarization contribution to the hyperfine interaction in transition-metal and rare-earth atoms and ions , 1977 .

[3]  I. Lindgren,et al.  Comments on the hyperfine structure of the 4 D 2 state of rubidium , 1977 .

[4]  T. P. Das,et al.  Relativistic many-body approach to hyperfine interaction in rare earths: Explanation of experimental result in europium , 1977 .

[5]  R. Beer,et al.  ENDOR of Gd3+ in LaCl3 , 1976 .

[6]  T. P. Das,et al.  Many-body calculation of the electric field gradient in the aluminum atom , 1976 .

[7]  I. Lindgren,et al.  Many-body calculations of the hyperfine interaction of some excited states of alkali atoms, using approximate Brueckner or natural orbitals , 1976 .

[8]  D. Newman.  Crystal Field Effects in S-state Ions due to Exchange Polarization , 1976 .

[9]  A. Freeman,et al.  Relativistic electron densities and isomer shifts in transition-metal ions , 1976 .

[10]  D. Newman,et al.  Interpretation of S-state ion E.P.R. spectra , 1975 .

[11]  D. Ormondt,et al.  Relativistic potential expressions in open-shell SCF calculations , 1975 .

[12]  R. P. Gupta,et al.  Role of consistency effects on the antishielding of nuclear quadrupole moments: Comparison between diagrammatic and differential-equation approaches for the ferric ion , 1975 .

[13]  T. P. Das,et al.  Many-Body Theory for Hyperfine Fields in Iron-Group Ions-Ferric Ion , 1973 .

[14]  Tara Prasad Das,et al.  Relativistic quantum mechanics of electrons , 1973 .

[15]  H. Buckmaster,et al.  A Survey of the EPR Spectra of Gd3+ in Single Crystals , 1972, August 16.

[16]  R. Peierls,et al.  Quadrupole Antishielding Factors, and the Nuclear Quadrupole Moments of Several Alkali Isotopes , 1971 .

[17]  P. Unsworth.  Nuclear dipole, quadrupole and octupole moments of 155Gd by atomic beam magnetic resonance , 1969 .

[18]  T. P. Das,et al.  Theoretical Analysis of the Hyperfine Structure of Alkali Atoms , 1968 .

[19]  T. Cole,et al.  ESR and ENDOR Spectra of Gd3+ in CdF2 , 1968 .

[20]  B. G. Wybourne,et al.  ENERGY LEVELS OF TRIVALENT GADOLINIUM AND IONIC CONTRIBUTIONS TO THE GROUND- STATE SPLITTING , 1966 .

[21]  P. Sandars,et al.  Relativistic effects in many electron hyperfine structure I. Theory , 1965, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[22]  H. P. Kelly.  Correlation Effects in Atoms , 1963 .