Applications of the perturbative hypernetted-chain equation to the one-component plasma and the one-component charged hard-sphere systems

Journal Article · Fri Dec 01 04:00:00 EST 1995 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.469997· OSTI ID:130704

Kang, H S ^[1]; Ree, F H ^[2]

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1. Department of Chemistry, College of Science and Engineering, Jeonju University, Hyoja-dong, Wansan-ku, Chonju, Chon-buk, Korea 560-759 (Korea, Republic of)
2. University of California, Lawrence Livermore National Laboratory, Livermore, California 94551 (United States)

The perturbative hypernetted-chain (PHNC) equation developed recently has been applied to the one-component plasma (OCP) and the one-component charged hard-sphere (OCCHS) systems in a uniform compensating background. Computed thermodynamic properties and pair correlation functions show that the PHNC gives excellent agreement with computer simulations and that it is as accurate as (or, in some cases, superior to) the reference-hypernetted chain and the hypernetted-chain-mean spherical equations, representing the two best currently available theories. The PHNC also predicts the OCP screening function at short range in close agreement with computer simulations and is superior to other theoretical results. Reliability of the radial distribution function at the hard-sphere contact distance for the OCCHS is also discussed. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

• Research Organization: Lawrence Livermore National Laboratory
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 130704
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 21 Vol. 103; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CORRELATION FUNCTIONS
HARD-SPHERE MODEL
PLASMA
STATISTICAL MECHANICS
THERMODYNAMIC PROPERTIES