Pressure dependence of ionic polarizabilities in crystals

Citation
Mc. Monard et al., Pressure dependence of ionic polarizabilities in crystals, COMPUT CHEM, 25(5), 2001, pp. 429-438
Citations number
8
Categorie Soggetti
Chemistry
Journal title
COMPUTERS & CHEMISTRY
ISSN journal
00978485 → ACNP
Volume
25
Issue
5
Year of publication
2001
Pages
429 - 438
Database
ISI
SICI code
0097-8485(200109)25:5<429:PDOIPI>2.0.ZU;2-N
Abstract
A program in Maple V is developed that allows for the calculation of polari zabilities of both anions and cations on the basis of a new method and of t he extension of the one developed previously. Furthermore, an alternative w ay of evaluation of partial derivativer(i)/partial derivative (p) is given. Values of partial derivative alpha (total)/partial derivative (p) can be e valuated for a given salt even when experimental data at high pressures are not available. (C) 2001 Elsevier Science Ltd. All rights reserved.