DOI: 10.1063/1.478736. Connected quadruples for the frequencies of O3

Connected quadruples for the frequencies of O3

10.1063/1.478736

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Coupled cluster methods with full inclusion of quadruples (T4) are not yet applicable to O3 frequencies, but a recently proposed noniterative quadruples method [CCSDT(Qf)] offers an ∼n7 evaluation. We report large basis set results for O3’s structure and harmonic vibrational frequencies, improving agreement with experiment over CCSDT.

Bibliography

Kucharski, S. A., & Bartlett, R. J. (1999). Connected quadruples for the frequencies of O3. The Journal of Chemical Physics, 110(17), 8233â8235.

Authors 2

Stanisław A. Kucharski (first)
Rodney J. Bartlett (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:17 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 2:13 a.m.)
Indexed	4 months, 1 week ago (April 17, 2025, 3:27 a.m.)
Issued	26 years, 3 months ago (May 1, 1999)
Published	26 years, 3 months ago (May 1, 1999)
Published Print	26 years, 3 months ago (May 1, 1999)

Funders 0

None

BibTeX

@article{Kucharski_1999, title={Connected quadruples for the frequencies of O3}, volume={110}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.478736}, DOI={10.1063/1.478736}, number={17}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kucharski, Stanisław A. and Bartlett, Rodney J.}, year={1999}, month=may, pages={8233–8235} }

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