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Icosahedral Symmetry Structures with Open-Shell Electronic Configuration hN (N=1–9). Full article

Journal Physics Letters A
ISSN: 0375-9601
Output data Year: 2000, Volume: 267, Number: 5-6, Pages: 370-378 Pages count : 9 DOI: 10.1016/S0375-9601(00)00142-0
Tags Electron repulsion integrals; Electronic configuration; Elsevier; Energy spectra; General structures; Icosahedral symmetry; Integral invariant; Open-shell
Authors Plakhutin Boris N. 1 , Carbó-Dorca Ramon 2
Affiliations
1 Boreskov Institute of Catalysis, Novosibirsk, 630090, Russian Federation
2 Institute of Computational Chemistry, University of Girona, Campus de Montilivi, Girona, 17071, Spain

Funding (1)

1 Russian Foundation for Basic Research 99-03-33307

Abstract: A general structure of the states’ energy levels has been derived for systems of icosahedral symmetry (I, Ih) having the degenerate open-shell electronic configuration hN (dimh=5; N=1–9). Energies of the states have been derived in terms of the integral invariants Hk(h,h) which are similar to the Slater–Condon parameters Fk(l,l) for an atom with configuration lN. 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 hN under consideration and for the parent electronic configuration dN of an atom.
Cite: Plakhutin B.N. , Carbó-Dorca R.
Icosahedral Symmetry Structures with Open-Shell Electronic Configuration hN (N=1–9).
Physics Letters A. 2000. V.267. N5-6. P.370-378. DOI: 10.1016/S0375-9601(00)00142-0 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
Submitted: Jan 4, 2000
Accepted: Feb 21, 2000
Published print: Mar 27, 2000
Published online: Jul 19, 2000
Identifiers:
Web of science: WOS:000086704100012
Scopus: 2-s2.0-0034719631
Elibrary: 13360519
Chemical Abstracts: 2000:224075
Chemical Abstracts (print): 132:242072
OpenAlex: W2055831508
Citing:
DB Citing
Web of science 13
Scopus 12
Elibrary 11
OpenAlex 13
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