DOI: 10.1063/1.435766. Quantum corrections to the equation of state of a fluid using hard-sphere basis functions

Quantum corrections to the equation of state of a fluid using hard-sphere basis functions

10.1063/1.435766

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We develop the expansion for the Slater sum, using a hard-sphere potential as a reference potential and the hard-sphere wavefunction as a basis set, which replaces the usual Wigner–Kirkwood series. Expressions are given for the first and second quantum corrections to the free energy arising due to perturbation potential. Results are given for the first and second quantum corrections to the second and third virial coefficients. We find that the quantum corrections to the higher virial coefficients depend on the potential at the core as well as the shape of the well. The general expression for the third virial coefficient of a gas at high temperature is given by Bq3 =Bc3+(5π2d6/18)[(3/√2) BI3(λ/d) +1.708 BII3(λ/d)2+⋅⋅⋅], where BI3 and BII3 are constants depending upon the shape and nature of the perturbation potential and equal to unity in the limit of the hard sphere [i.e., up(r) →0].

Bibliography

Singh, B. P., & Sinha, S. K. (1978). Quantum corrections to the equation of state of a fluid using hard-sphere basis functions. The Journal of Chemical Physics, 68(2), 562â572.

Authors 2

B. P. Singh (first)
S. K. Sinha (additional)

References 43 Referenced 24

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 5:38 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 12:43 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 4:57 a.m.)
Issued	47 years, 7 months ago (Jan. 15, 1978)
Published	47 years, 7 months ago (Jan. 15, 1978)
Published Print	47 years, 7 months ago (Jan. 15, 1978)

Funders 0

None

BibTeX

@article{Singh_1978, title={Quantum corrections to the equation of state of a fluid using hard-sphere basis functions}, volume={68}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.435766}, DOI={10.1063/1.435766}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Singh, B. P. and Sinha, S. K.}, year={1978}, month=jan, pages={562–572} }

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