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VI. Charge Deformation Models
Author(s) -
KurkiSuonio Kaarle
Publication year - 1977
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.197700022
Subject(s) - multipole expansion , orthogonality , chemistry , deformation (meteorology) , symmetry (geometry) , independence (probability theory) , charge (physics) , connection (principal bundle) , atom (system on chip) , motion (physics) , space (punctuation) , reciprocal , classical mechanics , theoretical physics , geometry , quantum mechanics , physics , mathematics , linguistics , statistics , philosophy , meteorology , computer science , embedded system
Basic construction principles of charge‐density models based on independent deformed atoms are presented. The asymptotic validity of the rigid free‐atom model in reciprocal space; mathematical properties of possible radial bases of multipole expansions; requirements put by symmetry, by regularity, by approximate free‐atom nature, by approximate harmonicity of motion and by N ‐representability on the deformation models; and the connection between orthogonality and independence of model parameters are discussed together with consequent conclusions about the analysis of diffraction data in terms of deformation models.