Related papers: Ab-Initio Molecular Dynamics with Screened Lorentz…
The Berry curvature is essential in Born$-$Oppenheimer molecular dynamics, describing the screening of the nuclei by the electrons in a magnetic field. Parts of the Berry curvature can be understood as the external magnetic field multiplied…
The diagonal nonadiabatic term arising from the Born--Oppenheimer wave-function ansatz contains contributions from a vector and scalar potential. The former is provably zero when the wave function can be taken to be real valued, and the…
The Berry connection and curvature are key components of electronic structure calculations for atoms and molecules in magnetic fields. They ensure the correct translational behavior of the effective nuclear Hamiltonian and the correct…
The spin-dependent Berry force is a genuine effect of Berry curvature in molecular dynamics, which can dramatically result in spatial spin separation and change of reaction pathways. However, the way to probe the effect of Berry force…
We propose a novel means to isolate and quantify the effects of Berry force on molecular dynamics using two reasonably strong continuous wave (CW) laser fields with frequencies $\omega$ and $2\omega$. For molecules or materials with three…
We describe the effective Lorentz forces on the ions of a generic insulating system in an magnetic field, in the context of Born-Oppenheimer ab-initio molecular dynamics. The force on each ion includes an important contribution of…
The band geometric properties of quantum materials play an elemental role in the linear and nonlinear transport of electrons. In this paper, we propose that the interplay of the Berry curvature, the orbital magnetic moment and the Lorentz…
Under the Born-Oppenheimer approximation, the electronic ground state evolves adiabatically and can accumulate geometrical phases characterized by the molecular Berry curvature. In this work, we study the effect of the molecular Berry…
We study the magnetic Bloch oscillations performed by a quantum particle moving in a two-dimensional lattice in the presence of a strong (synthetic) magnetic field and a uniform force. An elementary derivation of the Berry curvature effect…
A valley-contrasting Berry curvature in bilayer transition metal dichalcogenides with spin-orbit coupling can generate valley magnetization when the inversion symmetry is broken, for example, by an electric field, regardless of…
The Berry curvature is a geometrical property of an energy band which acts as a momentum space magnetic field in the effective Hamiltonian describing single-particle quantum dynamics. We show how this perspective may be exploited to study…
The Berry curvature and its descendant, the Berry phase, play an important role in quantum mechanics. They can be used to understand the Aharonov-Bohm effect, define topological Chern numbers, and generally to investigate the geometric…
We propose a general method by which experiments on ultracold gases can be used to determine the topological properties of the energy bands of optical lattices, as represented by the map of the Berry curvature across the Brillouin zone. The…
We explore the effects of spin-orbit coupling on nuclear wave packet motion near an out-of-equilibrium molecular junction, where nonzero Berry curvature emerges as the antisymmetric part of the electronic friction tensor. The existence of…
We describe a method for measuring the Berry curvature from the wave-packet dynamics in perturbed arrays of evanescently coupled optical waveguides with honeycomb lattice structure. To disentangle the effects of the Berry curvature and the…
We present a derivation of the full formula to calculate the Berry curvature on non-orthogonal numerical atomic orbital (NAO) bases.Because usually, the number of NAOs is larger than that of the Wannier bases, we use a orbital contraction…
Geometrical properties of energy bands underlie fascinating phenomena in a wide-range of systems, including solid-state materials, ultracold gases and photonics. Most famously, local geometrical characteristics like the Berry curvature can…
Strong magnetic fields have a large impact on the dynamics of molecules. In addition to the changes of the electronic structure, the nuclei are exposed to the Lorentz force with the magnetic field being screened by the electrons. In this…
The Berry curvature is a fundamental concept describing topological order of quantum systems. While it can be analytically tractable in non-interacting systems, numerical simulations are necessary in interacting systems. We present a…
Thermoelectric transport coefficients up to linear order in the applied magnetic field are microscopically studied using Kubo-Luttinger linear response theory and thermal Green's functions. We derive exact formulas for the thermoelectric…