'Dirac-Fock atoms' in the rare-earth region and the 4f wavefunction collapse phenomenon
I M Band; V I Fomichev; M B Trzhaskovskaya; I M Band; Leningrad Nuclear Phys. Inst., Leningrad, USSR; V I Fomichev; Leningrad Nuclear Phys. Inst., Leningrad, USSR; M B Trzhaskovskaya; Leningrad Nuclear Phys. Inst., Leningrad, USSR
Журнал:
Journal of Physics B: Atomic and Molecular Physics
Дата:
1981-04-14
Аннотация:
The authors consider some specific features of the 4f wavefunction collapse in the rare-earth elements and its effect on all nf electrons with n>4. The results of this investigation are used in Dirac-Fock self-consistent field calculations for lanthanum (6s<sup>2</sup>nf<sub>5/2</sub>) and europium (6s<sup>2</sup>4f<sub>5/2</sub><sup>6</sup>nf<sub>7/2</sub>) with n=4, 5 and 6. The exchange interaction is shown to play an important role in the formation of 'collapsed' and 'blown' states of these atoms with n=4. A calculation has been made of the contribution to the total energy of an atom coming from the lanthanum 4f<sub>5/2</sub> and europium 4f<sub>7/2</sub> electrons in the 'collapsed' and 'blown' states of these atoms. The europium nf<sub>7/2</sub> electrons with n=5 and n=6 are shown to be localised in the outer well of the effective potential, their one-electron parameters being close to those of the 5f and 6f electrons in the Coulomb field, respectively. At the same time in lanthanum with n=5 and n=6, the nf<sub>5/2</sub> electrons can be found with a high probability in either of the effective potential wells.
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