Measurement and calculation of CO (7–0) overtone line intensities

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dc.contributor.author Balashov, Aleksandr
dc.contributor.author Bielska, Katarzyna
dc.contributor.author Li, Gang
dc.contributor.author Kyuberis, Aleksandra A.
dc.contributor.author Wójtewicz, Szymon
dc.contributor.author Domysławska, Jolanta
dc.contributor.author Ciuryło, Roman
dc.contributor.author Zobov, Nikolai F.
dc.contributor.author Lisak, Daniel
dc.contributor.author Tennyson, Jonathan
dc.date.accessioned 2024-03-01T09:07:34Z
dc.date.available 2024-03-01T09:07:34Z
dc.date.issued 2023
dc.identifier.citation Journal of Chemical Physics, vol. 158, nr 23, 2023, Numer artykułu: 234306, s. 1-11
dc.identifier.other DOI:10.1063/5.0152996
dc.identifier.uri http://repozytorium.umk.pl/handle/item/6997
dc.description.abstract Intensities of 14 lines in the sixth overtone (7–0) band of carbon monoxide (12C 16O) are measured in the visible range between 14 300 and 14 500 cm−1 using a frequency-stabilized cavity ring-down spectrometer. This is the first observation of such a high and weak overtone spectrum of the CO molecule. A theoretical model is constructed and tested based on the use of a high accuracy ab initio dipole moment curve and a semi-empirical potential energy curve. Accurate studies of high overtone transitions provide a challenge to both experiment and theory as the lines are very weak: below 2 × 10−29 cm molecule−1 at 296 K. Agreement between theory and experiment within the experimental uncertainty of a few percent is obtained. However, this agreement is only achieved after issues with the stability of the Davidson correction to the multi-reference configuration interaction calculations are addressed.
dc.description.sponsorship The reported study was funded by RFBR under Research Project Nos. 18-02-00705 and 18-32-00698. The research connducted at NCU was supported by National Science Centre Poland, Project Nos. 2015/18/E/ST2/00585, 2018/30/E/ST2/00864, 2018/29/B/ST2/02974, and 2021/42/E/ST2/00152, and it was part of the program of the National Laboratory FAMO in Torun, Poland. ´ This work was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program through Advance Grant No. 883830 and by the UK NERC through grant NE/T000767/1.
dc.language.iso eng
dc.publisher American Institute of Physics
dc.rights Attribution 4.0 Poland
dc.rights.uri https://creativecommons.org/licenses/by/4.0/deed.pl
dc.subject Ab-initio softwares
dc.subject Davidson correction
dc.subject Potential energy surfaces
dc.subject Multi-reference configuration interaction
dc.subject Vibrational states
dc.subject Signal-to-noise ratio
dc.subject Fabry-Perot interferometers
dc.subject Lasers
dc.subject Carbon monoxide
dc.subject Cavity ring-down spectroscopy
dc.title Measurement and calculation of CO (7–0) overtone line intensities
dc.type info:eu-repo/semantics/article

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