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

X. C. Zeng; David W. Oxtoby

doi:10.1103/PhysRevA.45.6113

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

X. C. Zeng
, David W. Oxtoby

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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. © 1992 The American Physical Society.

Original language	English
Pages (from-to)	6113-6115
Journal	Physical Review A
Volume	45
Issue number	8
DOIs	https://doi.org/10.1103/PhysRevA.45.6113
Publication status	Published - 1992
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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

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. {\textcopyright} 1992 The American Physical Society.",

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note = "Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].",

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T1 - Free surface of the Bose Lennard-Jones fluid at 0 K

T2 - A density-functional perturbation approach

AU - Zeng, X. C.

AU - Oxtoby, David W.

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 1992

Y1 - 1992

N2 - 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. © 1992 The American Physical Society.

AB - 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. © 1992 The American Physical Society.

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U2 - 10.1103/PhysRevA.45.6113

DO - 10.1103/PhysRevA.45.6113

M3 - RGC 21 - Publication in refereed journal

SN - 1050-2947

VL - 45

SP - 6113

EP - 6115

JO - Physical Review A

JF - Physical Review A

IS - 8

ER -

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

Abstract

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