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Finite size corrections to Madelung number
- Source :
- Journal of Chemical Physics. 84
- Publication Year :
- 1986
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 1986.
-
Abstract
- It 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.
- Subjects :
- Atomic And Molecular Physics
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 84
- Database :
- NASA Technical Reports
- Journal :
- Journal of Chemical Physics
- Notes :
- NAG1-148
- Publication Type :
- Report
- Accession number :
- edsnas.19860034655
- Document Type :
- Report
- Full Text :
- https://doi.org/10.1063/1.450129