DOI: 10.1063/1.1680393. Derivation of an integral equation for pair correlation functions in molecular fluids

Derivation of an integral equation for pair correlation functions in molecular fluids

10.1063/1.1680393

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new integral equation for equilibrium pair correlation functions in molecular fluids is derived from a systematic functional Taylor expansion. The derivation employs a new Ornstein-Zernike-like equation and a generalization of the functional Taylor expansion techniques frequently employed to derive integral equations for radial distribution functions in simple atomic liquids.

Bibliography

Chandler, D. (1973). Derivation of an integral equation for pair correlation functions in molecular fluids. The Journal of Chemical Physics, 59(5), 2742â2746.

Authors 1

David Chandler (first)

References 6 Referenced 132

10.1063/1.1678513 / J. Chem. Phys. (1972)
{'key': '2024020910550935400_r2'}
{'key': '2024020910550935400_r3'}
10.1103/PhysRev.144.251 / Phys. Rev. (1966)
10.1063/1.1678512 / J. Chem. Phys. (1972)
10.1103/PhysRevA.4.1597 / Phys. Rev. A (1971)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 9, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 6:54 a.m.)
Indexed	2 months ago (June 25, 2025, 10:29 a.m.)
Issued	51 years, 11 months ago (Sept. 1, 1973)
Published	51 years, 11 months ago (Sept. 1, 1973)
Published Print	51 years, 11 months ago (Sept. 1, 1973)

Funders 0

None

BibTeX

@article{Chandler_1973, title={Derivation of an integral equation for pair correlation functions in molecular fluids}, volume={59}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1680393}, DOI={10.1063/1.1680393}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Chandler, David}, year={1973}, month=sep, pages={2742–2746} }

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