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Published on: August 30, 2013
Geometric phase effects in dynamics near conical intersections: symmetry breaking and spatial localization.
Ilya G Ryabinkin1, Artur F Izmaylov1
1Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada and Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada.
Finite systems with conical intersections show spontaneous symmetry breaking, localizing eigenstates. This robust phenomenon, with a geometric phase origin, slows quantum nuclear dynamics at low temperatures.
Area of Science:
- Quantum mechanics
- Chemical physics
- Condensed matter theory
Background:
- Conical intersections are critical points in molecular potential energy surfaces where electronic states become degenerate.
- Symmetry breaking is a fundamental concept in physics, leading to distinct phases and properties.
- Understanding quantum dynamics is crucial for predicting chemical reaction rates and material behavior.
Purpose of the Study:
- To investigate spontaneous symmetry breaking in finite systems featuring conical intersections.
- To explore the manifestation of symmetry breaking as spatial localization of eigenstates.
- To analyze the impact of this localization on quantum nuclear dynamics.
Main Methods:
- Theoretical modeling of finite systems with conical intersections.
- Analysis of eigenstate properties, focusing on localization and delocalization.
- Investigation of the geometric phase origin of the observed localization.
- Study of the transition between localized and delocalized regimes.
- Simulation of low-energy quantum nuclear dynamics at varying temperatures.
Main Results:
- Demonstrated spontaneous symmetry breaking in finite systems with conical intersections.
- Observed spatial localization of eigenstates as a direct consequence of symmetry breaking.
- Established the geometric phase origin of this localization, proving its robustness against parameter variations.
- Characterized the transition between localized and delocalized eigenstates as analogous to a continuous phase transition.
- Found that eigenstate localization significantly slows down low-energy quantum nuclear dynamics at low temperatures.
Conclusions:
- Finite systems with conical intersections can undergo spontaneous symmetry breaking, leading to robust eigenstate localization.
- This localization, rooted in geometric phase effects, impacts quantum dynamics by slowing nuclear motion at low temperatures.
- The observed transition dynamics resemble a continuous phase transition, offering insights into fundamental physical phenomena.
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