Hartree-Fock States Energy Spectra for Icosahedral Open-Shell Structures with Electronic Configurations gN (N=1-7) Full article
| Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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| Output data | Year: 1994, Volume: 227, Number: 4-5, Pages: 396-400 Pages count : 5 DOI: 10.1016/0009-2614(94)00827-2 | ||
| Tags | COUPLING-COEFFICIENTS; SCF THEORY; OPERATOR; SYMMETRY; IONS | ||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Russian Foundation for Basic Research | 93-03-4825 |
| 2 | International Science Foundation | 0154/2 |
Abstract:
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’.
Cite:
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 OpenAlex ANCAN
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 OpenAlex ANCAN
Dates:
| Submitted: | Apr 27, 1994 |
| Accepted: | Jun 14, 1994 |
| Published print: | Sep 16, 1994 |
| Published online: | Nov 13, 2001 |
Identifiers:
| ≡ Web of science: | WOS:A1994PG25400005 |
| ≡ Scopus: | 2-s2.0-0001483151 |
| ≡ Elibrary: | 30801633 |
| ≡ OpenAlex: | W1982771221 |
| ≡ Chemical Abstracts: | 1994:663989 |
| ≡ Chemical Abstracts (print): | 121:263989 |