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Ab initio study of the spin-orbit coupling between the A and b3Πu electronic states of Na2

Abstract : Accurate ab initio representations of the ground X and the excited A and b3u electronic states of Na2 are computed along with the transition dipole moment between X and A and the spin-orbit coupling term between A and b3u. These data are used to simulate an experiment involving these three states to investigate the effect of spin-orbit coupling on the dynamics of a wave packet oscillating on the A state
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https://hal.archives-ouvertes.fr/hal-00174382
Contributor : Caroline Lebe <>
Submitted on : Monday, September 24, 2007 - 11:08:00 AM
Last modification on : Sunday, March 7, 2021 - 3:24:23 AM

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S. Soorkia, Frédéric Le Quéré, Céline Léonard, D. Figgen. Ab initio study of the spin-orbit coupling between the A and b3Πu electronic states of Na2. Molecular Physics, Taylor & Francis, 2007, 105 (9), pp.1095 - 1104. ⟨10.1080/00268970601161574⟩. ⟨hal-00174382⟩

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