相关论文: Ehrenfest dynamics implemented in the all-electron…
We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…
We present a theoretical study of the ultrafast electron dynamics in transition metals using ultrashort pulsed laser beams. The significant influence of the contribution of the dynamics of produced nonthermal electrons to electron…
We show that the complete photoemission dynamics in situations of electron-ion entanglement can be retrieved from photoelectron spectral measurements without information on the ion. To this end, we develop an energy-time analysis of the…
The excited electronic states involved in the optical cycle preparation of a pure spin state of the negatively charged NV-defect in diamond are calculated using the HSE06 hybrid density functional and variational optimization of the…
We study a crossover from classical to quantum picture in the electron energy statistics in a system with broken time-reversal symmetry. The perturbative and nonperturbative parts of the two level correlation function, $R(\omega)$ are…
We derive Ehrenfest like equations for the coupled Gross Pitaevskii equations (CGPE) which describe the dynamics of the binary Bose-Einstein condensate (BBEC) both in the free particle regime and in the regime where condensate is well…
We address the question whether observables of an exactly solvable model of electrons coupled to (optical) phonons relax into large time stationary state values and investigate if the asymptotic expectation values can be computed using a…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
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…
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent…
Free-electron lasers have demonstrated their capability of generating intense attosecond X-ray pulses, which are the key to studying electron dynamics at their natural time scale and in specifically targeted electronic states, but come at…
We report the measurement of ultrafast relaxation dynamics of excited states of carbon dioxide molecule using time-resolved pump-probe photoelectron spectroscopy. Neutral ground state carbon dioxide is excited to $nd\sigma_g$ Henning sharp…
In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…
A relation between physical consequences of the so-called Ehrenfest's Paradox and the radial electric field in the classical quasi-neutral tokamak plasma is shown. Basic author's approach to the relativistic nature of the tokamak has been…
In the past decade, the advent of time-resolved spectroscopic tools has provided a new ground to explore fundamental interactions in solids and to disentangle degrees of freedom whose coupling leads to broad structures in the frequency…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
Currently, many ab initio codes are being prepared for exascale computing. A first and important step is to significantly improve the efficiency of existing implementations by devising better algorithms that can accomplish the same tasks…
We theoretically propose a multidimensional high-harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electron Volts. Using our recently…
We present a new approach for calculating electromagnetic excitation of nuclei as well as probabilities of emission and distributions of neutrons from decays of excited nuclear systems for ultrarelativistic, ultraperipheral heavy ion…
Electron motion in an oblique shock wave is studied by means of a one-dimensional, relativistic, electromagnetic, particle simulation code with full ion and electron dynamics. It is found that an oblique shock can produce electrons with…