Density-functional theory of simple classical fluids. I. Surfaces

C. Ebner, W. F. Saam, and D. Stroud
Phys. Rev. A 14, 2264 – Published 1 December 1976
PDFExport Citation

Abstract

A density-functional theory appropriate to nonuniform simple classical fluids is developed. Unlike most previous theories, the theory is in principle exact in the linear-response regime. For practical applications a small number of well-defined approximations, including that of Percus and Yevick, are made. Given only the Lennard-Jones 6-12 potential as input, the theory yields surface tensions and profiles in very good agreement with the results of Monte Carlo calculations. For a liquid pressed against a hard wall the expected oscillations in density in the vicinity of the wall are obtained. Comparisons with previous theories are made, and points of possible improvement in the formalism are discussed.

  • Received 27 May 1976

DOI:https://doi.org/10.1103/PhysRevA.14.2264

©1976 American Physical Society

Authors & Affiliations

C. Ebner

  • Department of Physics, The Ohio State University, Columbus, Ohio 43210
  • Battelle Memorial Institute, Columbus, Ohio 43201

W. F. Saam

  • Department of Physics, The Ohio State University, Columbus, Ohio 43210

D. Stroud

  • Department of Physics, The Ohio State University, Columbus, Ohio 43210
  • Battelle Memorial Institute, Columbus, Ohio 43201

Comments & Replies

Density-functional theory of classical systems

W. F. Saam and C. Ebner
Phys. Rev. A 15, 2566 (1977)

See Also

References (Subscription Required)

Click to Expand
Issue

Vol. 14, Iss. 6 — December 1976

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×