Icosahedral symmetry structures with open-shell electronic configuration h(N) (N = 1-9)

Abstract:

A general structure of the states' energy levels has been derived for systems of icosahedral symmetry (I,I(h)) having the degenerate open-shell electronic configuration h(N) (dim h = 5; N = 1-9). Energies of the states have been derived in terms of the integral invariants H(k)(h,h) which are similar to the Slater-Condon parameters F(k)(l,l) for an atom with configuration l(N). Similar representations have been derived for electron repulsion integrals over the five-fold degenerate h orbitals. A discussion is presented about the relation between the energy spectra of the states for the configuration h(N) under consideration and for the parent electronic configuration d(N) of an atom. (C) 2000 Elsevier Science B.V.

Año de publicación:

2000

Keywords:

Fuente:

scopus