QUASI-HARMONIC LATTICE-DYNAMICS VS MOLECULAR-DYNAMICS - THERMAL-EXPANSION OF SOLID ARGON

Authors
DELLAVALLE RG VENUTI E BRILLANTE A
Citation
Rg. Dellavalle et al., QUASI-HARMONIC LATTICE-DYNAMICS VS MOLECULAR-DYNAMICS - THERMAL-EXPANSION OF SOLID ARGON, Gazzetta chimica italiana, 126(9), 1996, pp. 615-617
Citations number
13
Categorie Soggetti
Chemistry
Journal title
Gazzetta chimica italiana → ACNP
ISSN journal
00165603
Volume
126
Issue
9
Year of publication
1996
Pages
615 - 617
Database
ISI
SICI code
0016-5603(1996)126:9<615:QLVM-T>2.0.ZU;2-6
Abstract
We present Molecular Dynamics and Quasi Harmonic Lattice Dynamics calc ulations for the crystal structure of argon as a function of temperatu re. We find that Quasi Harmonic Lattice Dynamics is an accurate method which remains usable even very close to the melting temperature.