- Abstract:
-
The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of lattice parameters, R, are presented for LiF, NaF, KF, LiCl, NaCl, KCl, LiBr, NaBr, KCl, and MgO. The derivatives of the mean polarizability with respect to lattice parameters are compared with experimental values obtained from the variation of the refractive index with pressure. The environmental effects on the polarizability of an anion may be viewed as the consequence of imposition of a conf...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1021/jp982029j
-
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- Journal:
- JOURNAL OF PHYSICAL CHEMISTRY A
- Volume:
- 102
- Issue:
- 43
- Pages:
- 8377-8385
- Publication date:
- 1998-10-22
- DOI:
- EISSN:
-
1520-5215
- ISSN:
-
1089-5639
- URN:
-
uuid:3a591eb5-6ccf-429b-823e-01c711af40f4
- Source identifiers:
-
60165
- Local pid:
- pubs:60165
- Language:
- English
- Copyright date:
- 1998
Journal article
Environmental effects on anion polarizability: Variation with lattice parameter and coordination number
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