Related papers: Making peace with random phases: Ab initio conical…
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…
We show that geometric phases may be generated in a quantum system subject to noise by adiabatic manipulations of the fluctuating fields, e.g., by variation of the system-environment coupling. For a two-state quantum system we express this…
We theoretically investigate the impact of the excited state quantum phase transition on the adiabatic dynamics for the Lipkin-Meshkov-Glick model. Using a time dependent protocol, we continuously change a model parameter and then discuss…
We present an approach for eliminating the gauge freedom for derivative couplings in nonadiabatic dynamics in the presence of geometric phase effects. This approach relies on a bottom-up construction of a parametric quantum Hamiltonian in…
We study the collision dynamics of two Bose-Einstein condensates with their dynamical wave functions modeled by a set of coupled, time-dependent Gross-Pitaevskii equations. Beginning with an effective one-dimensional system, we identify…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
Adiabatic elimination is a perturbative model reduction technique based on timescale separation and often used to simplify the description of composite quantum systems. We here analyze a quantum experiment where the perturbative expansion…
We consider non-adiabatic transitions in multiple dimensions, which occur when the Born-Oppenheimer approximation breaks down. We present a general, multi-dimensional algorithm which can be used to accurately and efficiently compute the…
Adiabatic techniques using multi-level systems have recently been generalised from the optical case to settings in atom optics, solid state and even classical electrodynamics. The most well known example of these is the so called STIRAP…
We observe a series of conical intersections in the potential energy curves governing both the collision between a Rydberg atom and a ground-state atom and the structure of Rydberg molecules. By employing the electronic energy of the…
We show how to significantly reduce the number of energy bands required to model the interaction of light with crystalline solids in the velocity gauge. We achieve this by deriving analytical corrections to the electric current density.…
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent…
We study how the non-adiabatic effect causes the observable fluctuation in the "geometric phase" for a two-level system, which is defined as the experimentally measurable quantity in the adiabatic limit. From the Rabi's exact solution to…
The crossover from nonadiabatic to adiabatic electron transfer has been theoretically studied under a spin-boson model (dissipative two-state system) description. We present numerically exact data for the thermal transfer rate and the…
The electronic states of selected nanosystems are discussed within the Exact Diagonalization Ab Initio (EDABI) method. In particular, incipient Mott--Hubbard localization effects and associated with it properties analyzed in detail.
Recently, the technique of counterdiabatic driving, which provides an effective strategy for accelerating adiabatic quantum evolution, has been widely applied in the preparation of many-body quantum states. In this work, we propose a…
We construct a measure for the adiabatic contribution to quantum transitions in an arbitrary basis, tackling the generic complex case where dynamics is only partially adiabatic, simultaneously populates several eigenstates and transitions…
Correlations in topological states of matter provide a rich phenomenology, including a reduction in the topological classification of the interacting system compared to its non-interacting counterpart. This happens when two phases that are…
The geometric (Berry) phase of a two-level system in a dissipative environment is analyzed by using the second-quantized formulation, which provides a unified and gauge-invariant treatment of adiabatic and nonadiabatic phases and is thus…
The most intriguing properties of non-Hermitian systems are found near the exceptional points (EPs) at which the Hamiltonian matrix becomes defective. Due to the complex topological structure of the energy Riemann surfaces close to an EP…