Abstract
The energy spectrum of the states that appear in structures of icosahedral (I,Ih symmetry with open electronic shells gN (dim g = 4; N = 1–7) is reported. The energies are obtained in terms of integral invariants (reduced matrix elements of electron-electron interaction) Hk (g, g). The latter are analogs of the Slater-Condon parameters Fk(l,l) for atoms with the lN electronic configuration. A similar representation is proposed for the integrals mm’≨’) of electron-electron interaction on the 4-fold degenerate g orbitals in the “standard” representation. The relation between the terms of the gN(I,Ih) configuration and the parent states of the orthogonal group O+(4) is discussed.
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Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 1, pp. 3–13, January–February, 1997.
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Plakhutin, B.N. Spectrum of states in icosahedral structures of the electronic configuration gn (N = 1–7). 1. Invariant expansion for integrals and energies. J Struct Chem 38, 1–9 (1997). https://doi.org/10.1007/BF02768800
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DOI: https://doi.org/10.1007/BF02768800