Related papers: Quantum-classical nonadiabatic dynamics of Floquet…
In our recent paper [Mosallanejad et al., Phys. Rev. B 107(18), 184314, 2023], we have derived a Floquet electronic friction model to describe nonadiabatic molecular dynamics near metal surfaces in the presence of periodic driving. In this…
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast processes. In this…
Periodically driven systems have emerged as a useful technique to engineer the properties of quantum systems, and are in the process of being developed into a standard toolbox for quantum simulation. An outstanding challenge that leaves…
Periodically driven quantum systems exhibit many fascinating phenomena absent in equilibrium systems, but their simulation is more challenging than that of static systems. Consequently, quantum simulation of these systems offers greater…
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
The Born-Oppenheimer (BO) approximation has shaped our understanding on molecular dynamics microscopically in many physical and chemical systems. However, there are many cases that we must go beyond the BO approximation, particularly when…
A generalized formalism of the so-called non-adiabatic quantum molecular dynamics is presented, which applies for atomic many-body systems in external laser fields. The theory treats the nuclear dynamics and electronic transitions…
Floquet theory provides rigorous foundations for the theory of periodically driven quantum systems. In the case of non-periodic driving, however, the situation is not so well understood. Here, we provide a critical review of the theoretical…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
We consider a quantum system periodically driven with a strength which varies slowly on the scale of the driving period. The analysis is based on a general formulation of the Floquet theory relying on the extended Hilbert space. It is shown…
The dynamics of qubits coupled to a harmonic oscillator with time-periodic coupling is investigated in the framework of Floquet theory. This system can be used to model nonadiabatic phenomena that require a periodic modulation of the…
We review Floquet formalism of quantum electron pumps. In the Floquet formalism the quantum pump is regarded as a time dependent scattering system, which allows us to go beyond the adiabatic limit. It can be shown that the well-known…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
We propose a `Floquet engineering' formalism to systematically design a periodic driving protocol in order to stroboscopically realize the desired system starting from a given static Hamiltonian. The formalism is applicable to quantum…
The theoretical treatment of quasi-periodically driven quantum systems is complicated by the inapplicability of the Floquet theorem, which requires strict periodicity. In this work we consider a quantum system driven by a bi-harmonic…
We develop the constrained adiabatic trajectory method (CATM) which allows one to solve the time-dependent Schr\"odinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet…
We present a brief overview of some of the analytic perturbative techniques for the computation of the Floquet Hamiltonian for a periodically driven, or Floquet, quantum many-body system. The key technical points about each of the methods…