First Full-Dimensional Potential Energy and Dipole Moment Surfaces of SF 6

Authors :: Andrei Nikitin
Vladimir G. Tyuterev
Michael Rey
Iana S. Chizhmakova
V.E. Zuev Institute of Atmospheric Optics (IAO)
Siberian Branch of the Russian Academy of Sciences (SB RAS)
Groupe de spectrométrie moléculaire et atmosphérique (GSMA)
Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)
Institute of Monitoring of Climatic and Ecological Systems (IMCES)
QUAMER laboratory , Tomsk State University
Tomsk State University [Tomsk]
Source :: Journal of Physical Chemistry A, Journal of Physical Chemistry A, American Chemical Society, 2020, 124 (35), pp.7014-7023. ⟨10.1021/acs.jpca.0c02733⟩
Publication Year :: 2020
Publisher :: HAL CCSD, 2020.
Abstract: A 15-dimensional analytical form for the potential energy and dipole moment surfaces of the SF6 molecule in the ground electronic state is obtained using ab initio methods. In order to calculate th...

Language :: English
ISSN :: 10895639 and 15205215
Database :: OpenAIRE
Journal :: Journal of Physical Chemistry A, Journal of Physical Chemistry A, American Chemical Society, 2020, 124 (35), pp.7014-7023. ⟨10.1021/acs.jpca.0c02733⟩
Accession number :: edsair.doi.dedup.....e56cebd3a9016f20e21233f96c1c7a8c

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