PRESSURE-DEPENDENCE OF THE TRANSVERSE OPTICAL-MODE GRUNEISEN-PARAMETER OF CRYSTALS

Authors
TRIBE L FRACCHIA RM BRUNO JAO BATANA A
Citation
L. Tribe et al., PRESSURE-DEPENDENCE OF THE TRANSVERSE OPTICAL-MODE GRUNEISEN-PARAMETER OF CRYSTALS, Computers & chemistry, 19(4), 1995, pp. 403-408
Citations number
25
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
19
Issue
4
Year of publication
1995
Pages
403 - 408
Database
ISI
SICI code
0097-8485(1995)19:4<403:POTTOG>2.0.ZU;2-P
Abstract
A program has been developed to calculate the Gruneisen parameter gamm a(t) = -partial derivative In omega(b)/partial derivative ln V for cry stals of NaCl, CsCl, CaF2 and zincblende structures. It allows for the use of different models, various interaction potentials and their par ametrizations.