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Title Pairwise interaction method in crystal field theory
Creator/Author Dushin, R.B. ; Shcherba, L.D.
Publication Date1986 Jan 01
OSTI IdentifierOSTI ID: 6011159
Other Number(s)Journal ID: CODEN: TEXCA
Resource TypeJournal Article
Resource RelationJournal Name: Theor. Exp. Chem. (Engl. Transl.); (United States); Journal Volume: 21:4; Other Information: Translated from Teor. Eksp. Khim.; 21: No.4, 450-459(Jul-Aug 1985)
Subject74 ATOMIC AND MOLECULAR PHYSICS; 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; COMPLEXES; ATOMIC MODELS; CONFIGURATION INTERACTION; CRYSTAL MODELS; QUANTUM FIELD THEORY; CRYSTAL FIELD; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; ELECTROSTATICS; ENERGY LEVELS; ENERGY-LEVEL TRANSITIONS; HAMILTONIANS; HYPERFINE STRUCTURE; LCAO METHOD; LIGANDS; MATRIX ELEMENTS; MOLECULAR ORBITAL METHOD; PERTURBATION THEORY; SPIN; SYMMETRY; ANGULAR MOMENTUM; CORRELATIONS; FIELD THEORIES; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; PARTICLE PROPERTIES; QUANTUM OPERATORS
Description/AbstractThe authors describe a new variant of crystal field theory - the pairwise interaction method. The pairwise interaction method is a superposition variant of crystal field theory in which as the parameters they use the shifts in the one-electron orbital energy levels of the inner Z-electron under the action of the perturbation caused by a single ligand. They establish a relationship between the pair-wise interaction method parameters and parameters of the angular overlap model and classical crystal field theory. They present tables allowing them to consider (in the weak crystal field approximation) the complexes ML/sub 6/, MO/sub 8/ (Oh), and ML/sub 4/ (Td) with integral and half-integral values of J for the central atom (less than or equal to 6), and also the octahedral complex in the case of an intermediate crystal field for integral J less than or equal to 6.
Country of PublicationUnited States
LanguageEnglish
FormatMedium: X; Size: Pages: 428-436
System Entry Date2008 Feb 07

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