Conical intersections (CIs) play a key role in nonadiabatic events. It was revealed, that the Renner effect in polyatomics is accompanied by symmetry-allowed CIs. Numerical and analytical results have demonstrated that two aligned CIs are formed in the molecular plane of the slightly bent C 2H 2 + molecule. To some extent different results were obtained for the H 2CN molecule. In order to fully and satisfactorily clarify this problem we calculated for the first time the Berry (topological) phase in this molecule for a single CI.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry