Integral Invariants for High-Symmetry Open-Shell Molecules. 2. Energies of Spectroscopic States | Sciact - CRIS-system of Boreskov Institute of Catalysis

Integral Invariants for High-Symmetry Open-Shell Molecules. 2. Energies of Spectroscopic States Full article

Journal

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Output data

Year: 1998, Volume: 39, Number: 2, Pages: 147-157 Pages count : 11 DOI: 10.1007/BF02873611

Funding (2)

1	Russian Foundation for Basic Research	96-03-01167
2	Russian Foundation for Basic Research	96-03-34035

A method for calculating the energies of electronic states arising from a degenerate open shellγ N in terms of integral invariants Hk(γ,γ) is presented. The calculation proceeds from expansions for the electron repulsion integrals 〈mm/nn〉 on degenerate orbitals ofγ symmetry in terms of Hk(γ,γ). The energies of states for theγ N electronic configurations with dimγ≤3 (eN and tN configurations) are tabulated

Plakhutin B.N.
Integral Invariants for High-Symmetry Open-Shell Molecules. 2. Energies of Spectroscopic States
Journal of Structural Chemistry. 1998. V.39. N2. P.147-157. DOI: 10.1007/BF02873611 WOS Scopus РИНЦ ANCAN OpenAlex

Плахутин Б.Н.
Интегральные инварианты в молекулах с открытыми электронными оболочками высокой симметрии. 2. Энергии спектроскопических состояний
Журнал структурной химии. 1998. Т.39. №2. С.183-195. РИНЦ

Submitted:	May 23, 1997
Published print:	Sep 1, 1998

Web of science:	WOS:000076605600001
Scopus:	2-s2.0-27544490847
Elibrary:	13276262
Chemical Abstracts:	1998:699707
Chemical Abstracts (print):	130:7568
OpenAlex:	W2004909717

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