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Crystal and ligand field theory
Author(s) -
Ballhausen C. J.
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.560050844
Subject(s) - field (mathematics) , meaning (existential) , crystal (programming language) , theoretical physics , ligand (biochemistry) , ligand field theory , field theory (psychology) , statistical physics , computational chemistry , physics , chemistry , computer science , epistemology , mathematics , quantum mechanics , mathematical physics , philosophy , pure mathematics , ion , biochemistry , receptor , programming language
Definitions and origins for both the crystal‐field and ligand‐field theories are elaborated. The role of parametrized models is contrasted with that of quantitative or semi‐quantitative calculations—special emphasis being given to the meaning and evaluation of 10 Dq. Finally, the implications of some recent calculations are discussed.