Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 42(22), p. 24257-24269, 2020
DOI: 10.1039/d0cp02457k
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Diagonal Born-Oppenheimer corrections to the ground electronic state potential energy surfaces of ozone: improvement of ab initio vibrational band centers for the 16O3, 17O3 and 18O3 isotopologues
Journal article published in 2020 by
Attila Tajti 
,
Peter G. Szalay ,
Roman V. Kochanov ,
Vladimir G. Tyuterev
,
Peter G. Szalay ,
Roman V. Kochanov ,
Vladimir G. Tyuterev
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Abstract
The accuracy of variationally calculated vibrational levels of ozone can be greatly improved by adding diagonal Born–Oppenheimer correction to the best available ab initio potential.