DOI: 10.1063/1.464537. Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities in linear polyynes

Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities in linear polyynes

10.1063/1.464537

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Ab initio calculations of the static longitudinal dipole polarizability αL and second dipole hyperpolarizability γL are reported for the linear C2nH2 polyynes up to C44H2 . Basis set requirements diminish with increasing chain length. The intermediate neglect of differential overlap (INDO) method is able to mimic the ab initio results if the Ohno–Klopman parameterization is used. The values per acetylenic linkage, αL/n and γL/n, converge very slowly with chain length; they are extrapolated to the infinite chain limit.

Bibliography

Archibong, E. F., & Thakkar, A. J. (1993). Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities in linear polyynes. The Journal of Chemical Physics, 98(10), 8324â8329.

Authors 2

Edet F. Archibong (first)
Ajit J. Thakkar (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 1:56 p.m.)
Indexed	1 year, 4 months ago (April 25, 2024, 11:07 a.m.)
Issued	32 years, 3 months ago (May 15, 1993)
Published	32 years, 3 months ago (May 15, 1993)
Published Print	32 years, 3 months ago (May 15, 1993)

Funders 0

None

BibTeX

@article{Archibong_1993, title={Chain length dependence of static longitudinal polarizabilities and hyperpolarizabilities in linear polyynes}, volume={98}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.464537}, DOI={10.1063/1.464537}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Archibong, Edet F. and Thakkar, Ajit J.}, year={1993}, month=may, pages={8324–8329} }

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