Applications of modified weighted density functional theory

Freezing of simple liquids

Xiao C Zeng, David W. Oxtoby

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

A new formulation of the weighted density approximation, the so-called modified weighted density approximation (MWDA), has been developed recently by Denton and Ashcroft [Phys. Rev. A39, 4701 (1989)]. In the present article, the MWDA theory is examined by applying it to the freezing of simple liquids in low dimensions such as one-dimensional hard rods and two-dimensional hard disks, and also applying it to three-dimensional adhesive hard spheres and classical one-component plasma systems. Comparisons with previous density functional investigations and computer simulations are also presented.

Original languageEnglish (US)
Pages (from-to)2692-2700
Number of pages9
JournalThe Journal of Chemical Physics
Volume93
Issue number4
DOIs
StatePublished - Jan 1 1990

Fingerprint

Approximation theory
Hard disk storage
Freezing
freezing
Density functional theory
Adhesives
density functional theory
Plasmas
Computer simulation
Liquids
liquids
approximation
adhesives
rods
computerized simulation
formulations
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Applications of modified weighted density functional theory : Freezing of simple liquids. / Zeng, Xiao C; Oxtoby, David W.

In: The Journal of Chemical Physics, Vol. 93, No. 4, 01.01.1990, p. 2692-2700.

Research output: Contribution to journalArticle

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