Related papers: A Phase-Space Semiclassical Approach for Modeling …
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
Every physical regime is some sort of approximation of reality. One lesser-known realm that is the semiquantal regime, which may be used to describe systems with both classical and quantum subcomponents. In the present review, we discuss…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
We apply the transitionless quantum driving method to control the electron spin of a two-electron double quantum dot with spin-orbit coupling by time-dependent electric fields. The $x$ and $y$ components of applied electric fields in each…
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 dynamical processes are one of the most important quantum mechanical phenomena in chemical, materials, biological, and environmental molecular systems, where the coupling between different electronic states is either inherent…
Nonadiabatic molecular dynamics simulations aim to describe the coupled electron-nuclear dynamics of molecules in excited electronic states. These simulations have been applied to understand a plethora of photochemical and photophysical…
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…
We consider an implementation of the adiabatic spin dynamics approach in a tight-binding description of the electronic structure. The adiabatic approximation for spin-degrees of freedom assumes that the faster electronic degrees of freedom…
The geometric phases of the cyclic states of a generalized harmonic oscillator with nonadiabatic time-periodic parameters are discussed in the framework of squeezed state. It is shown that the cyclic and quasicyclic squeezed states…
We systematically characterize the dynamical evolution of time-parity (PT )-symmetric two-level systems with spin-dependent dissipations. If the control parameters of the gap are linearly tuned with time, the dynamical evolution can be…
We introduce non-adiabatic semiclassical dressed states for a quantum system interacting with an electromagnetic field of variable amplitude and phase, and presence of dumping. We also introduce a generalized adiabatic condition, which…
We present a semiclassical quantization condition, i.e., quantum-classical correspondence, for steady states of nonadiabatic systems consisting of fast and slow degrees of freedom (DOFs) by extending Gutzwiller's trace formula to a…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
In this paper we define a non-dynamical phase for a spin-1/2 particle in a rotating magnetic field in the non-adiabatic non-cyclic case, and this phase can be considered as a generalized Berry phase. We show that this phase reduces to the…
Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representations, based on time dependent perturbation theory and…
Nonadiabatic molecular dynamics is a key technique for investigating a broad range of photochemical and photophysical processes. Among the established approaches, surface hopping schemes are widely used and can be easily integrated with…
Adiabatic processes driven by non-Hermitian, time-dependent Hamiltonians may be sped up by generalizing inverse engineering techniques based on Berry's transitionless driving algorithm or on dynamical invariants. We work out the basic…
For a T-periodic non-Hermitian Hamiltonian H(t), we construct a class of adiabatic cyclic states of period T which are not eigenstates of the initial Hamiltonian H(0). We show that the corresponding adiabatic geometric phase angles are real…
Adiabatic elimination is a standard tool in quantum optics, which produces an effective Hamiltonian for a relevant subspace of states, incorporating effects of its coupling to states with much higher unperturbed energy. It shares with…