Hartree-Fock States Energy Spectra for Icosahedral Open-Shell Structures with Electronic Configurations gN (N=1-7) Научная публикация
| Журнал |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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| Вых. Данные | Год: 1994, Том: 227, Номер: 4-5, Страницы: 396-400 Страниц : 5 DOI: 10.1016/0009-2614(94)00827-2 | ||
| Ключевые слова | COUPLING-COEFFICIENTS; SCF THEORY; OPERATOR; SYMMETRY; IONS | ||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Российский фонд фундаментальных исследований | 93-03-4825 |
| 2 | International Science Foundation | 0154/2 |
Реферат:
We derived the Hartree—Fock energy of states arising from the molecular open-shell electronic configurations gN (dim g=4; N=1–7) of icosahedral symmetry systems. These energies are represented in terms of the integral invariants (reduced electronic repulsion matrix elements) Hk(g,g) which are close in their physical nature to the Slater—Condon parameters Fk(l,l) for an atom with configuration lN. Similar representations are derived for the electronic repulsion integrals <mnm′n′ > over the four-fold degenerate g orbitals f ‘standard assignment’.
Библиографическая ссылка:
Plakhutin B.N.
Hartree-Fock States Energy Spectra for Icosahedral Open-Shell Structures with Electronic Configurations gN (N=1-7)
Chemical Physics Letters. 1994. V.227. N4-5. P.396-400. DOI: 10.1016/0009-2614(94)00827-2 WOS Scopus РИНЦ CAPlusCA OpenAlex
Hartree-Fock States Energy Spectra for Icosahedral Open-Shell Structures with Electronic Configurations gN (N=1-7)
Chemical Physics Letters. 1994. V.227. N4-5. P.396-400. DOI: 10.1016/0009-2614(94)00827-2 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 27 апр. 1994 г. |
| Принята к публикации: | 14 июн. 1994 г. |
| Опубликована в печати: | 16 сент. 1994 г. |
| Опубликована online: | 13 нояб. 2001 г. |
Идентификаторы БД:
| Web of science: | WOS:A1994PG25400005 |
| Scopus: | 2-s2.0-0001483151 |
| РИНЦ: | 30801633 |
| Chemical Abstracts: | 1994:663989 |
| Chemical Abstracts (print): | 121:263989 |
| OpenAlex: | W1982771221 |