Conical intersections induced by the Renner effect in polyatomic molecules

Gabor J. Halász, Ágnes Vibók, Roi Baer, Michael Baer

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

Characterizing and localizing electronic energy degeneracies is important for describing and controlling electronic energy flow in molecules. We show, using topological phase considerations, that the Renner effect in polyatomic molecules with more than three nuclei is necessarily accompanied by 'satellite' conical intersections. In these intersections the non-adiabatic coupling term is on average half an integer. We present ab initio results on the tetra-atomic radical cation C2H+2 to demonstrate the theory.

Original languageAmerican English
Pages (from-to)F267-F272
JournalJournal of Physics A: Mathematical and Theoretical
Volume40
Issue number15
DOIs
StatePublished - 13 Apr 2007

Fingerprint

Dive into the research topics of 'Conical intersections induced by the Renner effect in polyatomic molecules'. Together they form a unique fingerprint.

Cite this