A new interpretation of Hund's first rule |
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| Authors: | Irene Shim Jens Peder Dahl |
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| Affiliation: | (1) Department of Chemical Physics, The Technical University of Denmark, DtH 301, DK-2800 Lyngby, Denmark |
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| Abstract: | The diagonal elements of the first and second order spinless density matrices have been calculated for the lowest excited1 P and3 P terms of Be, B+ and C++ using wavefunctions at different levels of approximations published in the literature. The analysis of these functions has resulted in a new interpretation of Hund's first rule in terms of an anisotropic screening effect. |
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| Keywords: | Hund's rule Screening effect, anisotropic ∼ Be |
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