Vibrational levels of formaldehyde: Calculations from new high precision potential energy surfaces and comparison with experimental band origins

Vibrational energy levels of H2CO are reported using variational nuclear motion calculations from new ab initio and empirically optimized full 6-dimensional ab initio potential energy surfaces in the ground electronic state of the formaldehyde molecule. Ab initio calculations were carried out using...

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Bibliographic Details

Published in:	Journal of Quantitative Spectroscopy and Radiative Transfer Vol. 260. P. 107478 (1-13)
Other Authors:	Nikitin, Andrei V., Protasevich, Alexander E., Rodina, Alena A., Rey, Michaël, Tajti, Attila, Tyuterev, Vladimir G.
Format:	Article
Language:	English
Subjects:	формальдегид поверхность потенциальной энергии вибрационная энергия оператор кинетической энергии статьи в журналах
Online Access:	http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000896417 Перейти в каталог НБ ТГУ