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Bands, clusters, and crystal field splitting: Understanding SF 6 rotational levels
Author(s) -
Harter William G.,
Patterson Chris W.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560120855
Subject(s) - crystal field theory , crystal (programming language) , anisotropy , octahedron , symmetry (geometry) , field (mathematics) , octahedral symmetry , spectral line , molecule , molecular physics , physics , chemistry , crystal structure , crystallography , ion , geometry , quantum mechanics , mathematics , pure mathematics , computer science , programming language
The elementary theory of electron bands for one‐dimensional lattices is compared with a new approach to the theory of crystal‐field splitting. Nomograms are given for determining the qualitative features of orbital level spectra for anisotropic crystal fields having polygonal ( D n ) or octahedral (O) symmetry. The methods described are becoming an important part of the analysis of the rovi‐brational fine structure of SF 6 and other symmetric molecules.
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