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WORLD SCIENTIFIC eBooks

The Berry Phase in Molecular Dynamics

Published Aug 1, 2009• 0 citations
Publisher
DOI
10.1142/9789814271806_0039

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Jahn-Teller-induced Berry phase in spin-orbit-coupled Bose-Einstein condensates

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We demonstrate that Berry phases may greatly affect the dynamics of spin-orbit-coupled Bose-Einstein condensates. The effective model Hamiltonian under consideration is shown to be equivalent to the $E\ifmmode\times\else\texttimes\fi{}\ensuremath{\epsilon}$ Jahn-Teller model first introduced in molecular physics. The corresponding conical intersection is identified and the Berry phase acquired for a wave packet encircling the intersection is studied. It is found that this phase manifests itself in the density profile of the condensate, making it a directly measurable quantity via time-of-flight detection. Moreover, the non-Abelian gauge structure of the system is addressed and we verify how it affects the dynamics.

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The Berry phase in molecular physics

Arno Böhm, Brian K. Kendrick, Mark E. Loewe

Abstract The geometric phase of quantum mechanics is introduced, and its physical effects are then studied in the context of molecular physics. By performing the most general Born–Oppenheimer procedure, we show how gauge groups appear in the study of molecules. This method is then applied to the doubly degenerate Λ‐levels of a diatomic molecule. The resulting dynamics for the slow angular motion of the dumbbell is equivalent to that of a Dirac monopole.

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Journal of Physics B Atomic Molecular and Optical Physics•Jan 28, 1990•9 citations

Dynamical Consequences of Nontrivial Topology of Molecular Conical Intersections

Indranil Ghosh, Kush Banker, Gregory S. Engel

The topology of the electronic structure for an avoided crossing and a conical intersection (CI) is different and is characterized by the presence of the geometric phase in the electronic wavefunction in the latter. Using the linear Jahn-Teller model, we show that an avoided crossing can be created from the conical intersection while preserving the nontrivial topology of the latter by adding a Pauli $σ_y$ term to the Hamiltonian. Analogously to solid state systems, we derive a half-integer topological invariant as the integral of the Berry curvature over the CI nuclear branching space. We investigate the influence of electronic topology on chemical dynamics by conducting fewest-switches surface hopping simulations and find distinct hopping rates on identical eigensurfaces but with different topologies. Our work extends the influence of topology on molecular excited state dynamics beyond the Berry phase that can be practically realized through electron-nuclear and spin-orbit coupling.

physics.chem-phCross-listedarXiv:2608.24864•Aug 26, 2026
We demonstrate that Berry phases may greatly affect the dynamics of spin-orbit-coupled Bose-Einstein condensates. The effective model Hamiltonian under consideration is shown to be equivalent to the $E\ifmmode\times\else\texttimes\fi{}\ensuremath{\epsilon}$ Jahn-Teller model first introduced in molecular physics. The corresponding conical intersection is identified and the Berry phase acquired for a wave packet encircling the intersection is studied. It is found that this phase manifests itself in the density profile of the condensate, making it a directly measurable quantity via time-of-flight detection. Moreover, the non-Abelian gauge structure of the system is addressed and we verify how it affects the dynamics.
The topology of the electronic structure for an avoided crossing and a conical intersection (CI) is different and is characterized by the presence of the geometric phase in the electronic wavefunction in the latter. Using the linear Jahn-Teller model, we show that an avoided crossing can be created from the conical intersection while preserving the nontrivial topology of the latter by adding a Pauli σyσ_yσy​ term to the Hamiltonian. Analogously to solid state systems, we derive a half-integer topological invariant as the integral of the Berry curvature over the CI nuclear branching space. We investigate the influence of electronic topology on chemical dynamics by conducting fewest-switches surface hopping simulations and find distinct hopping rates on identical eigensurfaces but with different topologies. Our work extends the influence of topology on molecular excited state dynamics beyond the Berry phase that can be practically realized through electron-nuclear and spin-orbit coupling.