Related papers: Electron-nuclear correlations for photo-induced dy…
Effects of nuclear dynamics on the energetics of polythiophene relevant for the performance of organic solar cells are studied for the first time. Nuclear motions change the expectation values of frontier orbital energies and the band gap…
We study resonant optical excitations of strongly-interacting Rydberg states of atoms in the presence of relaxations. We employ the quantum stochastic (Monte Carlo) wavefunctions to simulate the dissipative dynamics of tens of atoms in…
We study the dynamics of a single collective excitation in a cold ensemble of atoms coupled to a one-dimensional waveguide. The coupling between the atoms and the photonic modes provides a coherent and a dissipative dynamics for this…
Estimating many-body effects that deviate from an independent particle approach, has long been a key research interest in condensed matter physics. Layered cuprates are prototypical systems, where electron-electron interactions are found to…
The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic…
The emergent properties of quantum materials, such as symmetry-broken phases and associated spectral gaps, can be effectively manipulated by ultrashort photon pulses. Impulsive optical excitation generally results in a complex…
We introduce a new dynamic light scattering method, termed photon correlation imaging, which enables us to resolve the dynamics of soft matter in space and time. We demonstrate photon correlation imaging by investigating the slow dynamics…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
Low energy nuclear transmutations have been reported in experimental chemical electrolytic cells employing metallic hydride electrodes. Assuming that the nuclear transmutations are induced by ultra-low momentum neutron absorption, the…
We develop a time-dependent theory to investigate electron dynamics and photoionization processes of diatomic molecules interacting with strong laser fields including electron-electron correlation effects. We combine the recently formulated…
The dynamics of excitons in disordered molecular solids is studied theoretically, taking into account migration between different sites, recombination, and dissociation into free charge carriers in the presence of an electric field. The…
We describe a new mechanism of decoherence in excited atoms as a result of thermal particles scattering by the atomic nucleus. It is based on the idea that a single scattering will produce a sudden displacement of the nucleus, which will be…
In this manuscript we present a theoretical framework and its numerical implementation to simulate the out-of-equilibrium electron dynamics induced by the interaction of ultrashort laser pulses in condensed-matter systems. Our approach is…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
The coupling of photons with (ultra-) relativistic atomic nuclei is presented in two particular circumstances: very high electromagnetic fields and very short photon pulses. We consider a typical situation where the (bare) nuclei (fully…
We demonstrate the breakdown of molecular-frame dynamics induced by the uncoupling of molecular rotation from electronic motion in molecular Rydberg states. We observe this non-Born-Oppenheimer regime in the time domain through…
In this study, we explore the potential of machine learning for modeling molecular electronic spectral intensities as a continuous function in a given wavelength range. Since presently available chemical space datasets provide excitation…
Collisional--radiative (CR) models based on \textit{ab initio} atomic structure calculation have been utilized over 20 years to analyze many-electron atomic and ionic spectra. Although the population distribution of the excited states in…
We investigate the kinetic-energy spectrum of electrons emitted from an excited many-electron system, often called photo-electron spectrum (PES). We are particularly interested on the impact of resonant modes of the system on PES. To this…
We develop and experimentally demonstrate a methodology for a full molecular frame quantum tomography (MFQT) of dynamical polyatomic systems. We exemplify this approach through the complete characterization of an electronically…