相关论文: The exact forces on classical nuclei in non-adiaba…

Diffusion is a central phenomenon in almost all fields of natural science revealing microscopic processes from the observation of macroscopic dynamics. Here, we consider the paradigmatic system of a single atom diffusing in a periodic…

We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…

We study non--adiabatic transitions in scattering theory for the time dependent molecular Schroedinger equation in the Born--Oppenheimer limit. We assume the electron Hamiltonian has finitely many levels and consider the propagation of…

The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\"o}dinger equation is substantiated. In principle a single experiment should…

It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H$_2^+$ can have large contributions arising from dynamical electron-nuclear correlation, going beyond what any electrostatics-based…

The concept of dominant interaction hamiltonians is introduced and applied to classical planar electron-atom scattering. Each trajectory is governed in different time intervals by two variants of a separable approximate hamiltonian.…

The exact exchange-correlation (xc) potential of time-dependent density functional theory has been shown to have striking features. For example, step and peak features are generically found when the system is far from its ground-state, and…

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…

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 find and analyze the exact time-dependent potential energy surface driving the proton motion for a model of cavity-induced suppression of proton-coupled electron-transfer. We show how, in contrast to the polaritonic surfaces, its…

Transport of a particle in a spatially periodic harmonic potential under the influence of a slowly time-dependent unbiased periodic external force is studied. The equations of motion are the same as in the problem of a slowly forced…

A classical wave-particle entity in the form of a millimetric walking droplet can emerge on the free surface of a vertically vibrating liquid bath. Such wave-particle entities have been shown to exhibit hydrodynamic analogs of quantum…

We show that nuclear motion of Rydberg atoms can be induced by resonant dipole-dipole interactions that trigger the energy transfer between two energetically close Rydberg states. How and if the atoms move depends on their initial…

We consider a basic model of the lossless interaction between a moving two-level atom and a standing-wave single-mode laser field. Classical treatment of the translational atomic motion provides the semiclassical Hamilton-Schrodinger…

In this paper, we study the bulk motion of a classical extended charge in flat spacetime. A formalism developed by W. G. Dixon is used to determine how the details of such a particle's internal structure influence its equations of motion.…

In this paper, we present a theoretical study of a conjonction of $\gamma$-rigid and $\gamma$-stable collective motions in critical point symmetries of the phase transitions from spherical to deformed shapes of nuclei using exactly…

We propose a way to accelerate adiabatic dynamics of wave functions in quantum mechanics to obtain a final adiabatic state except for the spatially uniform phase in any desired short time. We develop the previous theory of fast-forward…

In this work the issue of whether key energetic properties (nonlinear, exponential-type dissipation in the abscence of forcing and long-term stability under conditions of time dependent loading) are automatically inherited by deforming…

Force fields uniquely assign interatomic forces for a given set of atomic coordinates. The underlying assumption is that electrons are in their quantum-mechanical ground state or in thermal equilibrium. However, there is an abundance of…

The dynamics of nuclear collective motion is investigated in the case of reflection-asymmetric shapes. The model is based on a new parameterization of the octupole and quadrupole degrees of freedom, valid for nuclei close to the axial…