Related papers: Time-dependent electron localization function
Imaging the quantum motion of electrons not only in real-time, but also in real-space is essential to understand for example bond breaking and formation in molecules, and charge migration in peptides and biological systems. Time-resolved…
Long-range correlations are essential across numerous machine learning tasks, especially for data embedded in Euclidean space, where the relative positions and orientations of distant components are often critical for accurate predictions.…
The time evolution of the electron density and the resulting time dependence of X-ray diffraction peak intensity in a crystal irradiated by highly intense femtosecond pulses of an XFEL is investigated theoretically on the basis of rate…
Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…
The electric double layer (EDL) formed around charged nanostructures at the liquid-solid interface determines their electrochemical activity and influences their electrical and optical polarizability. We experimentally demonstrate that…
Chemical bonding is the stabilization of a composite molecular system caused by different interactions in and between the subsystems, among the strong kinds of bonding is covalent bonding especially important. Characteristic for covalent…
Explicit-electron force fields introduce electrons or electron pairs as semi-classical particles in force fields or empirical potentials, which are suitable for molecular dynamics simulations. Even though semi-classical electrons are a…
The electron dephasing time $\tau_{\phi}$ in a diffusive quantum dot is calculated by considering the interaction between the electron and dynamical defects, modelled as two-level system. Using the standard tunneling model of glasses, we…
The electron localization in the dissociation of the asymmetric charged molecular ion HeH$^{2+}$ exposed to an intense few-cycle laser pulse is studied by solving numerically the 3D time-dependent Schr\"odinger equation. By varying the…
We present a framework for quantization of electromagnetic field in the presence of dielectric media with time-varying optical properties. Considering a microscopic model for the dielectric as a collection of matter fields interacting with…
We formulate a time-dependent Fluctuating Local Field (TD-FLF) method for correlated fermion dynamics, extending the stationary FLF approach. The wavefunction is approximated as an ensemble of non-interacting states subject to a classical…
Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…
Using the appropriate fractionalization mechanism, we correctly derive the temperature (T) and interaction dependence of the electron lifetime $\tau_F$ in Luttinger liquids. For strong enough interactions, we report that $(T\tau_F)\propto…
We describe an ab initio and non-perturbative $R$-matrix with time-dependence theory for ultrafast atomic processes in light fields of arbitrary polarization. The theory is applicable to complex, multielectron atoms and atomic ions subject…
It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory are…
The development of X-ray free-electron lasers (XFELs) has enabled ultrafast X-ray diffraction (XRD) experiments, which are capable of resolving electronic/vibrational transitions and structural changes in molecules, or capturing molecular…
As the continual experimental advances made in Electron energy loss spectroscopy (EELS) and cathodoluminescence (CL) open the door to practical exploitations of plasmonic effects in metal nanoparticles, there is an increasing need for…
Electron energy loss spectroscopy (EELS) and Cathodoluminescence (CL) play a pivotal role in many of the cutting edge experiments in plasmonics. EELS and CL experiments are usually supported by numerical simulations, which, whilst accurate,…
The use of an intense ultrashort laser pulse to induce electron polarization has been proposed in existing literature. The Python programming language is used to recreate the local constant crossed-field approximation (LCFA) with the aim of…
Single-electron capacitance spectroscopy precisely measures the energies required to add individual electrons to a quantum dot. The spatial extent of electronic wavefunctions is probed by investigating the dependence of these energies on…