Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?

Abstract

We demonstrate that the molecular Berry phase and the corresponding non-analyticity in the electronic Born-Oppenheimer wavefunction is, in general, not a true topological feature of the exact solution of the full electron-nuclear Schrödinger equation. For a numerically exactly solvable model we show that a non-analyticity, and the associated geometric phase, only appear in the limit of infinite nuclear mass, while a perfectly smooth behavior is found for any finite nuclear mass.

References in corpus (8)

• Topological Insulators
• Berry Phase Effects on Electronic Properties
• Topological Insulators in Three Dimensions
• Exact factorization of the time-dependent electron-nuclear wavefunction
• Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
• Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization
• Parametric representation of open quantum systems and crossover from quantum to classical environment
• Geometric gauge potentials and forces in low-dimensional scattering systems

Cited by in corpus (47)

• Atoms and Molecules in Cavities: From Weak to Strong Coupling in QED Chemistry
• An effective magnetic field from optically driven phonons
• Chemical Principles of Topological Semimetals
• A coupled-trajectory quantum-classical approach to decoherence in non-adiabatic processes
• The exact forces on classical nuclei in non-adiabatic charge transfer
• Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function
• Molecular geometric phase from the exact electron-nuclear factorization
• Exact Potential Energy Surface for Molecules in Cavities
• Light-Matter Interactions via the Exact Factorization Approach
• Exact factorization-based density functional theory of electrons and nuclei
• The adiabatic limit of the exact factorization of the electron-nuclear wave function
• Ultrafast dynamics with the exact factorization
• An Exact Factorization Perspective on Quantum Interferences in Nonadiabatic Dynamics
• Lattice dynamics with molecular Berry curvature: chiral optical phonons
• On the Numerical Solution of the Exact Factorization Equations
• The Exact Potential Driving the Electron Dynamics in Enhanced Ionization
• Asymptotic analysis of the Berry curvature in the $E\otimes e$ Jahn-Teller model
• Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processes
• Shedding Light on Correlated Electron-Photon States using the Exact Factorization
• Bohmian mechanics in the exact factorization of electron-nuclear wavefunction
• Spintronics meets nonadiabatic molecular dynamics: Geometric spin torque and damping on noncollinear classical magnetism due to electronic open quantum system
• Anomalous spin precession under a geometrical torque
• Ab-initio wave-length dependent Raman spectra: Placzek approximation and beyond
• Surface hopping methodology in laser-driven molecular dynamics
• Magnetic order induced chiral phonons in a ferromagnetic Weyl semimetal
• Nonlinear phononics in 2D SnTe: a ferroelectric material with phonon dynamical amplification of electric polarization
• Quantum-classical nonadiabatic dynamics of Floquet driven systems
• Study of the Inflationary Spectrum in the Presence of Quantum Gravity Corrections
• Fock space embedding theory for strongly correlated topological phases
• Bypassing the energy functional in density functional theory: Direct calculation of electronic energies from conditional probability densities
• Shortcuts to Adiabaticity Assisted by Counterdiabatic Born-Oppenheimer Dynamics
• Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure
• How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?
• Regularized Born-Oppenheimer molecular dynamics
• Geometric phase of light-induced conical intersections: Adiabatic time-dependent approach
• Fingerprints of the quantum space-time in time-dependent quantum mechanics: An emergent geometric phase
• Density Matrix Renormalization Group Study of a One Dimensional Diatomic Molecule beyond the Born-Oppenheimer Approximation
• The Molecular Aharonov-Bohm effect Redux
• Geometric Phase Atom Optics and Interferometry
• Phonon thermal Hall as a lattice Aharonov-Bohm effect
• Abelian and non-Abelian topological behavior of a neutral spin-1/2 particle in a background magnetic field
• Quantum covariant derivative
• Electronic decoherence along a single nuclear trajectory
• Universal Anomaly of Dynamics at Phase Transition Points Induced by Pancharatnam-Berry Phase
• Holonomy and vortex structures in quantum hydrodynamics
• Geometry of quantum hydrodynamics in theoretical chemistry
• Non-linear response in extended systems: a real-time approach