Related papers: Nonadiabatic ab initio molecular dynamics includin…
We revisit the topic of atomic center of mass motion of a three level atom Raman coupled strongly to an external laser field and the quantum field of a high Q optical cavity. We focus on the motion related nonadiabatic effects of the atomic…
A new mode of effective interaction of molecular rotational degrees of freedom with an intense, nonresonant, ultrashort laser pulse is explored. Transient nonadiabatic charge redistribution (TNCR) in larger molecules or molecular ions…
Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play…
The molecular dynamics (MD) approach is an effective tool for investigating atomistic dynamical phenomena at the surface of materials under strong laser irradiation. Therefore, numerous laser ablation MD simulation studies have been…
Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. The proton is treated quantum mechanically using Feynman path…
Quantum state transformations that are robust to experimental imperfections are important for applications in quantum information science and quantum sensing. Counterdiabatic (CD) approaches, which use knowledge of the underlying system…
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…
Nonadiabatic molecular dynamics offers a powerful tool for studying the photochemistry of molecular systems. Key to any nonadiabatic molecular dynamics simulation is the definition of its initial conditions, ideally representing the initial…
The induced polarization of a beam of polar clusters or molecules passing through an electric or magnetic field region differs from the textbook Langevin-Debye susceptibility. This distinction, which is important for the interpretation of…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
Synthetic spin-orbit coupling (SOC) in controlled quantum systems such as cold atoms or trapped ions has been of great interest. Here we show, both theoretically and computationally, a simplest realization of SOC using two-level cold atoms…
Spin-orbit coupling (SOC) is a key interaction in spintronics, allowing an electrical control of spin or magnetization and, vice versa, a magnetic control of electrical current. However, recent advances have revealed much broader…
Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…
In a time-orbiting-potential magnetic trap the neutral atoms are confined by means of an inhomogeneous magnetic field superimposed to an uniform rotating one. We perform an analytic study of the atomic motion by taking into account the…
We analyze the fast transient dynamics of a multi-longitudinal mode semiconductor laser on the basis of a model with intensity coupling. The dynamics, coupled to the constraints of the system and the below-threshold initial conditions,…
Coherence phenomena in four-level atomic system, cyclicly driven by three coherent fields, are investigated thoroughly at zero and weak magnetic fields. Each strongly interacting atomic state is converted to a triplet due to a dynamical…
We consider a diatomic molecule driven by a linearly polarized laser pulse with a polarization axis rotating with a constant acceleration. This setup is referred to as optical centrifuge, and it is known to lead to high-angular momenta for…
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…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
We study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this…