Symmetry of localized orbitals in molecules with spin-orbit interaction |
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Authors: | V P Smirnov R A évarestov |
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Institution: | (1) Institute of Precision Mechanics and Optics, Leningrad |
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Abstract: | We construct representations of crystallographic point groups induced by double-valued irreducible representations of their local subgroups. Using the tetrahedral molecule Bi4 as an example, we illustrate application of the results obtained to the symmetry analysis of localized molecular orbitals obtained from relativistic calculations.Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 24, No. 1, pp. 91–95, January–February, 1988. |
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