Short time expansion of the relative motion of molecular pairs. Application to water

Authors
De Santis, A Ercoli, A Rocca, D
Citation
A. De Santis et al., Short time expansion of the relative motion of molecular pairs. Application to water, J PHYS-COND, 12(24), 2000, pp. 5121-5127
Citations number
13
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
12
Issue
24
Year of publication
2000
Pages
5121 - 5127
Database
ISI
SICI code
0953-8984(20000619)12:24<5121:STEOTR>2.0.ZU;2-4
Abstract
A detailed analysis of the short time expansion of the relative mean square displacement and mean square distance of pairs is performed for molecular fluids. A theoretical expression which relates the t(2) coefficient of the expansion to the local structure of the fluid is obtained. Good agreement b etween theoretical predictions and simulated data is found in the case of s upercooled water.