Static and dynamic correlations in fluids with internal quantum states: Computer simulations and theory

P. De Smedt; P. Nielaba; J. L. Lebowitz; J. Talbot; L. Dooms

doi:https://doi.org/10.1103/PhysRevA.38.1381

Static and dynamic correlations in fluids with internal quantum states: Computer simulations and theory

P. De Smedt, P. Nielaba, J. L. Lebowitz, J. Talbot, L. Dooms

Rutgers, The State University

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

We continue our investigation of the properties of a model fluid whose molecules have classical translational degrees of freedom and two quantum internal states. The attractive pair interactions are turned on when the internal states are hybridized, corresponding to the molecules acquiring a dipole moment. The phase diagram of this system in the temperature-density plane as well as the static and imaginary-time correlations at various densities are investigated by Monte Carlo simulations, using the polymer representation, for different strengths of the quantum parameter. These are compared with low-density expansions and mean-field-theory predictions. Good agreement is found in appropriate regimes.

Original language	English (US)
Pages (from-to)	1381-1394
Number of pages	14
Journal	Physical Review A
Volume	38
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevA.38.1381
State	Published - 1988

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

Access to Document

https://doi.org/10.1103/PhysRevA.38.1381

Cite this

@article{aa49fb5dabc94d6cafc2da2eb1f57460,

title = "Static and dynamic correlations in fluids with internal quantum states: Computer simulations and theory",

abstract = "We continue our investigation of the properties of a model fluid whose molecules have classical translational degrees of freedom and two quantum internal states. The attractive pair interactions are turned on when the internal states are hybridized, corresponding to the molecules acquiring a dipole moment. The phase diagram of this system in the temperature-density plane as well as the static and imaginary-time correlations at various densities are investigated by Monte Carlo simulations, using the polymer representation, for different strengths of the quantum parameter. These are compared with low-density expansions and mean-field-theory predictions. Good agreement is found in appropriate regimes.",

author = "{De Smedt}, P. and P. Nielaba and Lebowitz, {J. L.} and J. Talbot and L. Dooms",

year = "1988",

doi = "https://doi.org/10.1103/PhysRevA.38.1381",

language = "English (US)",

volume = "38",

pages = "1381--1394",

journal = "Physical Review A - Atomic, Molecular, and Optical Physics",

issn = "1050-2947",

publisher = "American Physical Society",

number = "3",

}

TY - JOUR

T1 - Static and dynamic correlations in fluids with internal quantum states

T2 - Computer simulations and theory

AU - De Smedt, P.

AU - Nielaba, P.

AU - Lebowitz, J. L.

AU - Talbot, J.

AU - Dooms, L.

PY - 1988

Y1 - 1988

N2 - We continue our investigation of the properties of a model fluid whose molecules have classical translational degrees of freedom and two quantum internal states. The attractive pair interactions are turned on when the internal states are hybridized, corresponding to the molecules acquiring a dipole moment. The phase diagram of this system in the temperature-density plane as well as the static and imaginary-time correlations at various densities are investigated by Monte Carlo simulations, using the polymer representation, for different strengths of the quantum parameter. These are compared with low-density expansions and mean-field-theory predictions. Good agreement is found in appropriate regimes.

AB - We continue our investigation of the properties of a model fluid whose molecules have classical translational degrees of freedom and two quantum internal states. The attractive pair interactions are turned on when the internal states are hybridized, corresponding to the molecules acquiring a dipole moment. The phase diagram of this system in the temperature-density plane as well as the static and imaginary-time correlations at various densities are investigated by Monte Carlo simulations, using the polymer representation, for different strengths of the quantum parameter. These are compared with low-density expansions and mean-field-theory predictions. Good agreement is found in appropriate regimes.

UR - http://www.scopus.com/inward/record.url?scp=0005201938&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0005201938&partnerID=8YFLogxK

U2 - https://doi.org/10.1103/PhysRevA.38.1381

DO - https://doi.org/10.1103/PhysRevA.38.1381

M3 - Article

VL - 38

SP - 1381

EP - 1394

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

SN - 1050-2947

IS - 3

ER -

Static and dynamic correlations in fluids with internal quantum states: Computer simulations and theory

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this