A comment on SCF energy partitioning schemes |
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Authors: | Lluis M Molino Enric Canadell |
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Institution: | (1) Lehrstuhl für Theoretische Chemie der Universität Regensburg, Bundesrepublik Deutschland |
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Abstract: | Starting from the symmetry groupG × SU(2) for the special case of negligible spin-orbit coupling, a general character formula is derived for them-tuplet representation, which is realized in the space of state functions ofn-electron systems in fields with symmetryG. Apart from the characters of the initial representation for the single electron space function, the formula only contains the number of particlesn and the multiplicitym.Herrn Professor Dr. Hermann Hartmann zu seinem 60. Geburtstag gewidmet. |
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Keywords: | Character formula general for multiplet states |
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