Regensburg 2016 – scientific programme

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O: Fachverband Oberflächenphysik

O 62: Frontiers of Electronic Structure Theory: Focus on Topology and Transport III

O 62.10: Talk

Wednesday, March 9, 2016, 17:45–18:00, H24

Nonadiabatic geometric phase of a pseudorotating triatomic molecule — •Ryan Requist and Eberhard K. U. Gross — Max Planck Institute of Microstructure Physics, Halle (Saale), Germany

The geometric phase of a real-valued Born-Oppenheimer electronic wavefunction is a topological quantity depending on the winding number of the path around a conical intersection of the adiabatic potential energy surfaces in nuclear coordinate space. We report the calculation of a nonadiabatic molecular geometric phase that takes the full quantum mechanical motion of the nuclei into account through the exact factorization scheme [1]. Nonadiabatic contributions ``smear out" the point-like adiabatic Berry curvature, changing the topological invariant into a genuine path-dependent geometric phase [2].

[1] S. K. Min, A. Abedi, K. S. Kim and E. K. U. Gross, Phys. Rev. Lett. 113, 263004 (2014). [2] R. Requist and E. K. U. Gross, arxiv:1506.09193.