相关论文: Semiclassical approaches to controlling chemical r…

We use the semi-classical approach to study the non-equilibrium dynamics of the O(3) non-linear sigma model. For a class of quenches defined in the text, we obtain the order parameter dynamical correlator in the thermodynamic limit. In…

We present a general method for studying front propagation in nonlinear systems with a global constraint in the language of hybrid tank models. The method is illustrated in the case of semiconductor superlattices, where the dynamics of the…

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 introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modelling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or…

Kramers escape from a metastable state in the presence of both thermal and quantum fluctuations under strong damping is treated as a thermally activated process in a quantum modified semiclassical potential. Dirac's time-dependent…

We study diffusion-controlled processes in nonequilibrium steady states, where standard rate theory assumptions break down. Using transition path theory, we generalize the relations between reactive probability fluxes and measures of the…

An elementary excitation in an aggregate of coupled particles generates a collective excited state. We show that the dynamics of these excitations can be controlled by applying a transient external potential which modifies the phase of the…

Although, for current laser pulse energies, the weakly nonlinear regime of LWFA is known to be the optimal for reaching the highest possible electron energies, the capabilities of upcoming large laser systems will provide the possibility of…

We analyze semilinear reaction-diffusion systems that are mass controlled, and have nonlinearities that satisfy critical growth rates. The systems under consideration are only assumed to satisfy natural assumptions, namely the preservation…

We present a simple method to deal with caustics in the semiclassical approximation to the thermal density matrix of a particle moving on the line. For simplicity, only its diagonal elements are considered. The only ingredient we require is…

We study the influence of laser radiation on the electron transport through a molecular wire weakly coupled to two leads. In the absence of a generalized parity symmetry, the molecule rectifies the laser induced current, resulting in…

We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved---or to account for chemical reactions,…

Trajectories are a central concept in our understanding of classical phenomena and also in rationalizing quantum mechanical effects. In this work we provide a way to determine semiclassical paths, approximations to quantum averages in phase…

Electron transfer at electrode interfaces to molecules in solution or at the electrode surface plays a vital role in numerous technological processes. However, treating these processes requires a unified and accurate treatment of the…

We study the behavior of reduced models for the propagation of intense laser pulses in atomic gases. The models we consider incorporate ionization, blueshifting, and other nonlinear propagation effects in an ab initio manner, by explicitly…

The interaction between nuclei and a strong zeptosecond laser pulse with coherent MeV photons is investigated theoretically. We provide a first semi-quantitative study of the quasiadiabatic regime where the photon absorption rate is…

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…

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…

We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a set of integral equations. With a simple approximation for the…

We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…