Spectrum of States in Icosahedral Structures of the Electronic Configuration gn (N = 1–7). 1. Invariant Expansion for Integrals and Energies Full article
| Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Output data | Year: 1997, Volume: 38, Number: 1, Pages: 1-9 Pages count : 9 DOI: 10.1007/BF02768800 | ||
| Tags | OPEN-SHELL; SCF THEORY; SYMMETRY | ||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Russian Foundation for Basic Research | 96-03-01167 |
| 2 | Russian Foundation for Basic Research | 96-03-34035 |
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.
Cite:
Plakhutin B.N.
Spectrum of States in Icosahedral Structures of the Electronic Configuration gn (N = 1–7). 1. Invariant Expansion for Integrals and Energies
Journal of Structural Chemistry. 1997. V.38. N1. P.1-9. DOI: 10.1007/BF02768800 WOS Scopus РИНЦ ANCAN OpenAlex
Spectrum of States in Icosahedral Structures of the Electronic Configuration gn (N = 1–7). 1. Invariant Expansion for Integrals and Energies
Journal of Structural Chemistry. 1997. V.38. N1. P.1-9. DOI: 10.1007/BF02768800 WOS Scopus РИНЦ ANCAN OpenAlex
Original:
Плахутин Б.Н.
Спектр состояний в структурах икосаэдрической симметриии с электронной конфигурацией gn (N= 1 -7). 1. Инвариантные разложения для интегралов и энергии
Журнал структурной химии. 1997. Т.38. №1. С.3-13. РИНЦ
Спектр состояний в структурах икосаэдрической симметриии с электронной конфигурацией gn (N= 1 -7). 1. Инвариантные разложения для интегралов и энергии
Журнал структурной химии. 1997. Т.38. №1. С.3-13. РИНЦ
Dates:
| Submitted: | Aug 29, 1996 |
| Published print: | Jan 1, 1997 |
Identifiers:
| Web of science: | WOS:A1997XP79000001 |
| Scopus: | 2-s2.0-27544450859 |
| Elibrary: | 13250226 |
| Chemical Abstracts: | 1997:524426 |
| Chemical Abstracts (print): | 127:268145 |
| OpenAlex: | W2004445264 |