相关论文: Visualization and Interpretation of Attosecond Ele…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
The transport approach is a useful tool to study dynamics of non-equilibrium systems. For heavy-ion collisions at intermediate energies, where both the smooth nucleon potential and the hard-core nucleon-nucleon collision are important, the…
Recent high resolution measurements of the momenta of two electrons emitted from Argon atoms in a strong laser field show a strong preference for the outgoing electrons to have similar momenta and to be ejected in the same direction along…
We present experiments demonstrating trajectory-dependent electronic excitations at low ion velocities, where ions are expected to primarily interact with delocalized valence electrons. The energy loss of H$^+$, H$_2 ^+$, He$^+$, B$^+$,…
The Bohm causal theory of quantum mechanics with spin-dependence is used to determine electron trajectories when a hydrogen atom is subjected to (semi-classical) radiation. The transition between the 1s ground state and the 2p0 state is…
The kinetic energy distribution of D$^+$ ions resulting from the interaction of a femtosecond laser pulse with D$_2$ molecules is calculated based on the rescattering model. From analyzing the molecular dynamics, it is shown that the…
We present an ab initio molecular dynamics (MD) investigation of the tautomeric equilibrium for aqueous solutions of glycine and acetone at realistic experimental conditions. Metadynamics is used to accelerate proton migration among…
We simulate the femtosecond laser induced desorption dynamics of a diatomic molecule from a metal surface by including the effect of the electron and phonon excitations created by the laser pulse. Following previous models, the laser…
We have investigated the energy correlation of the two electrons from nonsequential double ionization of helium atom in 800 nm laser fields at intensities below the recollision threshold by quantum calculations. The circular arcs structure…
Longitudinal momentum spectra and electron drift directions are considered for several laser wavelengths in Non-Sequential Double Ionization of helium using three dimensional classical ensembles. In this model, the familiar doublet for…
In parallel with the evolution of femtosecond and attosecond laser as well as free-electron laser technology, a variety of theoretical methods have been developed to describe the behavior of atoms, molecules, clusters, and solids under the…
We present a hydrodynamic theory describing pair diffusion in systems with periodic boundary conditions, thereby generalizing earlier work on self-diffusion [D\"unweg and Kremer, J. Chem. Phys. 1993, 99, 6983-6997; Yeh and Hummer, J. Phys.…
We present numerical studies of the transport dynamics of a charged soliton in conjugated polymers under the influence of an external time-dependent electric field. All relevant electron-phonon and electron-electron interactions are nearly…
We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li$_3$TiCl$_6$ cathode at six different temperatures, ranging from…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
Ultrafast laser excitation can trigger multiplex coherent dynamics in molecules. Here, we report attosecond transient absorption experiments addressing simultaneous probing of electronic and vibrational dynamics in a prototype molecule,…
The electron kinetics in moving and standing striations in direct current and radio-frequency discharges is studied. The discharge current is such that the thermalizing electron-electron collisions are negligible and the hydrodynamic…
We discuss double ionization of atoms in strong laser pulses using a reduced dimensionality model. Following the insights obtained from an analysis of the classical mechanics of the process, we confine each electron to move along the lines…
We study the formation of molecular states in a two-electron quantum dot as a function of the barrier potential dividing the dot. The increasing barrier potential drives the two electron system from an artificial helium atom to an…
Ionization of atoms by linearly polarized strong laser fields produces cylindrically symmetric photoelectron momentum distributions that exhibit modulations due to the interference of outgoing electron trajectories. For a faithful modeling,…