COLLECTIVE MOTIONS IN LIQUIDS WITH A NORMAL-MODE APPROACH

Authors
Citation
Tm. Wu et Rf. Loring, COLLECTIVE MOTIONS IN LIQUIDS WITH A NORMAL-MODE APPROACH, The Journal of chemical physics, 99(11), 1993, pp. 8936-8947
Citations number
38
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
99
Issue
11
Year of publication
1993
Pages
8936 - 8947
Database
ISI
SICI code
0021-9606(1993)99:11<8936:CMILWA>2.0.ZU;2-Y
Abstract
We present a theory of collective dynamics in simple liquids within a harmonic approximation. We extend the normal mode approximation, which has previously been applied to single-particle properties, such as th e velocity autocorrelation function, to the calculation of the longitu dinal and transverse particle current autocorrelation functions. Withi n the harmonic approximation, these autocorrelation functions may be r elated to a configuration-averaged phonon Green's function, which is a generalization of the conventional Green's function for a perfect cry stal. We show that the calculation of this Green's function is equival ent to the evaluation of a propagator in a random walk problem, in whi ch a walker with internal states hops among sites located at the parti cles of the fluid. We develop an approximate, self-consistent theory f or this Green's function, which is used to calculate the longitudinal current correlation function for a dense Lennard-Jones fluid. The resu lts are compared to previous computer simulations of this correlation function.