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Автор M V Ivanov
Автор P Schmelcher
Дата выпуска 2001-05-28
dc.description 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.
Формат application.pdf
Издатель Institute of Physics Publishing
Название The boron atom and boron positive ion in strong magnetic fields
Тип paper
DOI 10.1088/0953-4075/34/10/316
Electronic ISSN 1361-6455
Print ISSN 0953-4075
Журнал Journal of Physics B: Atomic, Molecular and Optical Physics
Том 34
Первая страница 2031
Последняя страница 2044
Аффилиация M V Ivanov; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Federal Republic of Germany
Аффилиация P Schmelcher; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Federal Republic of Germany
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