DOI: 10.1063/1.432339. van der Waals coefficients through <i>C</i>8 for atom–linear molecule interactions. I. CO2

van der Waals coefficients through C8 for atom–linear molecule interactions. I. CO2–noble gas systems

10.1063/1.432339

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Exact formulas for all the terms in the van der Waals C7 and C8 coeffcients for the interaction of an S-state atom with a Σ-state linear molecule are derived. The angle dependence is presented in convenient Legendre polynominal expansion form. Procedures for the calculation or estimation of the coefficients are proposed, discussed, and applied to CO2–noble gas atom interactions. Simple formulas are found to give good bounds for the angle-dependent part of C6. Although the uncertainties in the estimates of the higher coefficients are large, using them instead of C6 alone improves the long range potential considerably.

Bibliography

Pack, R. T. (1976). van der Waals coefficients through C8 for atomâlinear molecule interactions. I. CO2ânoble gas systems. The Journal of Chemical Physics, 64(4), 1659â1667.

Authors 1

Russell T Pack (first)

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Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 5:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 9:43 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 10:04 p.m.)
Issued	49 years, 6 months ago (Feb. 15, 1976)
Published	49 years, 6 months ago (Feb. 15, 1976)
Published Print	49 years, 6 months ago (Feb. 15, 1976)

Funders 0

None

BibTeX

@article{Pack_1976, title={van der Waals coefficients through C8 for atom–linear molecule interactions. I. CO2–noble gas systems}, volume={64}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.432339}, DOI={10.1063/1.432339}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Pack, Russell T}, year={1976}, month=feb, pages={1659–1667} }

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