Related papers: Quantum-classical nonadiabatic dynamics of Floquet…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
We investigate two approaches to derive the proper Floquet-based quantum-classical Liouville equation (F-QCLE) for laser-driven electron-nuclear dynamics. The first approach projects the operator form of the standard QCLE onto the diabatic…
We study directed transport in periodically forced scattering systems in the regime of fast and strong driving where the dynamics is mixed to chaotic and adiabatic approximations do not apply. The model employed is a square potential well…
This article reviews theoretical methods for analyzing Floquet engineering (FE) phenomena in open (dissipative) quantum or classical systems, with an emphasis on our recent results. In many theoretical studies for FE in quantum systems,…
How to accurately solve time-dependent Schr\"odinger equation is an interesting and important problem. Here, we propose a novel method to obtain the exact Floquet solutions of the Schr\"odinger equation for periodically driven systems by…
Semiclassical descriptions of a few-level system coupled to an electromagnetic field mode reduce the field to a time-dependent driving term. Although such methods are widely used, the underlying quantum character of the field generates…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
In the previous study (arXiv:2303.00479), we have derived a Floquet classical master equation (FCME) to treat nonadiabatic dynamics near metal surfaces under Floquet engineering. We have also proposed trajectory surface hopping algorithm to…
Simultaneous driving by two periodic oscillations yields a practical technique for further engineering quantum systems. For quantum transport through mesoscopic systems driven by two strong periodic terms, a non-perturbative Floquet-based…
We investigate both pure and mixed states Floquet dynamical quantum phase transition (DQPT) in the periodically time-dependent extended XY model. We exactly show that the proposed Floquet Hamiltonian of interacting spins can be expressed as…
Periodically driven quantum systems exhibit a diverse set of phenomena but are more challenging to simulate than their equilibrium counterparts. Here, we introduce the Quantum High-Frequency Floquet Simulation (QHiFFS) algorithm as a method…
The exact factorization approach has led to the development of new mixed quantum-classical methods for simulating coupled electron-ion dynamics. We compare their performance for dynamics when more than two electronic states are occupied at…
For a periodically driven open quantum system, the Floquet theorem states that the time evolution operator $\Lambda(t,0)$ of the system can be factorized as $\Lambda(t,0)=\mathcal{D}(t)e^{\mathcal{L}_{eff}t}$ with micro-motion operator…
A theory of electronic friction is developed using the exact factorization of the electron-nuclear wavefunction. No assumption is made regarding the electronic bath, which can be made of independent or interacting electrons, and the nuclei…
We demonstrate nonadiabatic Thouless pumping of electrons in trans-polyacetylene in the framework of Floquet engineering using first-principles theory. We identify the regimes in which the quantized pump is operative with respect to the…
We present a comprehensive theoretical investigation on the dynamic electronic response of a noninteracting quantum dot system to various forms of time-dependent voltage applied to the single contact lead. Numerical simulations are carried…
Characterization and control of matter by optical means is at the forefront of research both due to fundamental insights and technological promise. Theoretical modeling of periodically driven systems is a prerequisite to understanding and…
Floquet (periodically driven) systems can give rise to unique non-equilibrium phases of matter without equilibrium analogs. The most prominent example is the realization of discrete time crystals. An intriguing question emerges: what other…
Dynamical quantum phase transitions (DQPTs) are characterized by nonanalytic behaviors of physical observables as functions of time. When a system is subject to time-periodic modulations, the nonanalytic signatures of its observables could…