SELF-DIFFUSION COEFFICIENT AND FORCE AUTOCORRELATION FUNCTION

Authors
SHARMA RK PATHAK KN TANKESHWAR K RANGANATHAN S
Citation
Rk. Sharma et al., SELF-DIFFUSION COEFFICIENT AND FORCE AUTOCORRELATION FUNCTION, Physics and chemistry of liquids, 29(1), 1995, pp. 59-68
Citations number
11
Categorie Soggetti
Chemistry Physical","Physics, Condensed Matter
Journal title
Physics and chemistry of liquids → ACNP
ISSN journal
00319104
Volume
29
Issue
1
Year of publication
1995
Pages
59 - 68
Database
ISI
SICI code
0031-9104(1995)29:1<59:SCAFAF>2.0.ZU;2-E
Abstract
Self diffusion coefficients of the Lennard-Jones fluid have been calcu lated using a model for the force auto-correlation function. Parameter s of the proposed model are determined using frequency sum rules of th e velocity auto-correlation function. Predicted results for the self d iffusion coefficient are found to be in a reasonable agreement with co mputer simulation data.