Free surface of the Bose Lennard-Jones fluid at 0 K: A density-functional perturbation approach

X. C. Zeng, David W. Oxtoby

Research output: Contribution to journalArticle

Abstract

We present a first-principles density-functional study of the free surface of a Bose Lennard-Jones (BLJ) fluid at zero temperature. Following the Weeks-Chandler-Andersen perturbation scheme for classical LJ fluids, we treat the repulsive part of the BLJ by a Bose hard-sphere (BHS) reference system, where the equivalent BHS diameter is taken from the approach of Kalos, Levesque, and Verlet [Phys. Rev. A 9, 2178 (1974)]. When the de BoerMichels parameters of He4 are chosen for the BLJ fluid, the calculated surface properties are in good agreement with those from experiment and Monte Carlo simulation.

Original languageEnglish (US)
Pages (from-to)6113-6115
Number of pages3
JournalPhysical Review A
Volume45
Issue number8
DOIs
StatePublished - Jan 1 1992

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perturbation
fluids
reference systems
surface properties
simulation
temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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Free surface of the Bose Lennard-Jones fluid at 0 K : A density-functional perturbation approach. / Zeng, X. C.; Oxtoby, David W.

In: Physical Review A, Vol. 45, No. 8, 01.01.1992, p. 6113-6115.

Research output: Contribution to journalArticle

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