Conical intersections induced by the Renner effect in polyatomic molecules

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dc.creatorHalasz, Gabor J.
dc.creatorVibok, Agnes
dc.creatorBaer, Roi
dc.creatorBaer, Michael
dc.date2007-01-31
dc.date.accessioned2026-07-07T07:43:59Z
dc.date.available2026-07-07T07:43:59Z
dc.descriptionCharacterizing and localizing electronic energy degeneracies is important for describ-ing and controlling electronic energy flow in molecules. We show, using topological phase considerations that the Renner effect in polyatomic molecules with more than 3 nuclei is necessarily accompanied by 'satellite' conical intersections. In these intersections the non-adiabatic coupling term is on the average half an integer. We present ab-inito results on the tetra-atomic radical cation C2H2+ to demonstrate the theory
dc.identifierhttps://arxiv.org/abs/cond-mat/0701779
dc.identifierhttp://arxiv.org/abs/cond-mat/0701779
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/123033
dc.subjectMaterials Science
dc.titleConical intersections induced by the Renner effect in polyatomic molecules
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