The boron atom and boron positive ion in strong magnetic fields
M V Ivanov; P Schmelcher; M V Ivanov; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Federal Republic of Germany; P Schmelcher; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Federal Republic of Germany
Журнал:
Journal of Physics B: Atomic, Molecular and Optical Physics
Дата:
2001-05-28
Аннотация:
The ground and a few excited states of the boron atom in external uniform magnetic fields are calculated by means of a 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35×10<sup>9</sup> T. With increasing field strength the ground state of the B atom undergoes five crossovers involving six different electronic configurations which belong to three groups with different spin projections S<sub>z</sub> = -1/2,-3/2,-5/2. For weak fields the ground state configuration arises from the field-free 1s<sup>2</sup>2s<sup>2</sup>2p<sub>-1</sub>, S<sub>z</sub> = -1/2 configuration. With increasing field strength the ground state involves the four S<sub>z</sub> = -3/2 configurations 1s<sup>2</sup>2s2p<sub>0</sub>2p<sub>-1</sub>, 1s<sup>2</sup>2s2p<sub>-1</sub>3d<sub>-2</sub>, 1s<sup>2</sup>2p<sub>0</sub>2p<sub>-1</sub>3d<sub>-2</sub> and 1s<sup>2</sup>2p<sub>-1</sub>3d<sub>-2</sub>4f<sub>-3</sub>, followed by the fully spin-polarized S<sub>z</sub> = -5/2 configuration 1s2p<sub>-1</sub>3d<sub>-2</sub>4f<sub>-3</sub>5g<sub>-4</sub>. The latter configuration forms the ground state of the boron atom in the high-field regime γ>8.0251. Analogous calculations for the B<sup>+</sup> give a sequence of the four following ground state configurations: 1s<sup>2</sup>2s<sup>2</sup> (S<sub>z</sub> = 0), 1s<sup>2</sup>2s2p<sub>-1</sub> (S<sub>z</sub> = -1), 1s<sup>2</sup>2p<sub>-1</sub>3d<sub>-2</sub> (S<sub>z</sub> = -1) and 1s2p<sub>-1</sub>3d<sub>-2</sub>4f<sub>-3</sub> (S<sub>z</sub> = -2). The above series of ground state configurations are extracted from the results of numerical calculations for a number of electronic configurations selected according to general energetical arguments.
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