Pairwise interaction method in crystal field theory
Creators
Description
The 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 ML6, MO8 (Oh), and ML4 (Td) with integral and half-integral values of J for the central atom (≤ 6), and also the octahedral complex in the case of an intermediate crystal field for integral J ≤ 6
Additional details
Publishing Information
- Journal Title
- Theor. Exp. Chem. (Engl. Transl.)
- Journal Volume
- 21
- Journal Issue
- 4
- Series
- Theor. Exp. Chem. (Engl. Transl.).
- Journal Page Range
- 428-436
- ISSN
- 0040-5760
- CODEN
- TEXCA
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19014841
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ATOMIC MODELS; COMPLEXES; CONFIGURATION INTERACTION; CRYSTAL FIELD; CRYSTAL MODELS; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; ELECTROSTATICS; ENERGY LEVELS; ENERGY-LEVEL TRANSITIONS; HAMILTONIANS; HYPERFINE STRUCTURE; LCAO METHOD; LIGANDS; MATRIX ELEMENTS; MOLECULAR ORBITAL METHOD; PERTURBATION THEORY; QUANTUM FIELD THEORY; SPIN; SYMMETRY
- Descriptors DEC
- ANGULAR MOMENTUM; CORRELATIONS; FIELD THEORIES; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; PARTICLE PROPERTIES; QUANTUM OPERATORS
Optional Information
- Notes
- Translated from Teor. Eksp. Khim.; 21: No.4, 450-459(Jul-Aug 1985).