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Finite size corrections to Madelung numberIt is customary in the study of ionic crystals to assume that the ions are point charges at their respective lattice sites; the corresponding electrostatic energy of one such ion is reducible to Madelung's form, where the Madelung number has a value of 1.7467. This paper considers the modifications in the electrostatic energy when the atomic finite size is treated in more detail. The results are tabulated as a direct correction to Madelung's number for alkali halide cubic crystals.
Document ID
19860034655
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Wilson, J. W.
(NASA Langley Research Center Hampton, VA, United States)
Heinbockel, J. H.
(NASA Langley Research Center Hampton, VA, United States)
Outlaw, R. A.
(NASA Langley Research Center Hampton, VA, United States)
Date Acquired
August 12, 2013
Publication Date
January 1, 1986
Publication Information
Publication: Journal of Chemical Physics
Volume: 84
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
86A19393
Funding Number(s)
CONTRACT_GRANT: NAG1-148
Distribution Limits
Public
Copyright
Other

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