Conical intersections induced by the Renner effect in polyatomic molecules

DOI10.1088/1751-8113/40/15/F01MaRDI QIDQ3435860zbMATH OpenFDO

Authors G. J. Halász, Á. Vibók, Roi Baer, Michael B. Baer

Publication date 7 May 2007

Published in Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0701779

Mathematics Subject Classification ID

Molecular physics (81V55)

Abstract: Characterizing 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

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Cited in

(3)

• Intersections of energy surfaces in quantized Sinai billiards
• Characterization of conical intersection in a \textit{cis}-\textit{trans} isomerization through nonclassicality and entanglement
• Conical intersections in physics. An introduction to synthetic gauge theories

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