Conical intersections induced by the Renner effect in polyatomic molecules

Details Conical intersections induced by the Renner effect in polyatomic molecules Conical intersections induced by the Renner effect in polyatomic molecules

2007-01-31

arxiv.org/abs/cond-mat/0701779v1

Physics

Condensed Matter

Materials Science

Scientific paper

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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