相关论文: Electron correlation in beryllium: Effects in grou…
Accurately resolving many-body satellite features in molecular core-level spectra requires theoretical approaches that capture electron correlation both efficiently and systematically. The recently developed time-dependent double…
Spatial correlation functions provide a glimpse into the quantum correlations within a quantum system. Ions in a linear trap collectively form a nonuniform, discretized background on which a scalar field of phonons propagates. Trapped ions…
We study the role of electron correlations in the presumed type II Weyl semimetallic candidate $\gamma$-MoTe$_2$ by employing density functional theory (DFT) where the on-site Coulomb repulsion (Hubbard U) for the Mo 4$d$ states is included…
In this paper we describe an ultrafast scanning electron microscope setup developed for the research of inelastic scattering of electrons at optical near-fields of periodic dielectric nanostructures. Electron emission from the Schottky…
We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal…
We apply a fundamental definition of time delay, as the difference between the time a particle spends within a finite region of a potential and the time a free particle spends in the same region, to determine results for photoionization of…
We present analytical expressions of momentum-resolved core-level photoemission time delay in a molecular frame of a heteronuclear diatomic molecule upon photoionization by a linearly polarized soft x-rays attosecond pulse. For this…
We analyze the formation of Rb_2 molecules with short photoassociation pulses applied to a cold Rb-85 sample. A pump laser pulse couples a continuum level of the ground electronic state X ^1\Sigma_{g}^+ with bound levels in the 0_{u}^+…
The computational design of heteroatom-doped organic dyes for dye-sensitized solar cells (DSSCs) remains challenging, as predictive methods must accurately describe long-range charge-transfer (CT) excitations while remaining computationally…
Coherence among rotational ion channels during photoionization is exploited to control the anisotropy of the resulting photoelectron angular distributions at specific photoelectron energies. The strategy refers to a robust and single…
In the description of the interaction between electrons beyond the classical Hartree picture, bare exchange often yields a leading contribution. Here we discuss its effect on optical spectra of solids, comparing three different frameworks:…
Accurately predicting the electronic energy deposition of ions in materials is an important challenge in both fundamental and applied research. While employing ab initio simulations to investigate electronic stopping of ions in matter holds…
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and…
We develop photoelectron interferometry based on laser-assisted extreme ultraviolet ionization for flexible and robust control of photoelectron circular dichroism in randomly oriented chiral molecules. A comb of XUV photons ionizes a sample…
The exact static and time-dependent Kohn-Sham (KS) exchange-correlation (xc) potential is extremely challenging to approximate as it is a local multiplicative potential that depends on the electron density everywhere in the system. The KS…
The interaction between free electrons and optical near fields is attracting increasing attention as a way to manipulate the electron wave function in space, time, and energy. Relying on currently attainable experimental capabilities, we…
Measuring the delay for an electron to emerge from different states is one of the major achievements of attosecond science. This delay can have two origins - the electron wave packet is reshaped during departure by the electrostatic field…
We study the effects of long and short-range electron-electron interactions in a graphene bilayer. Using a variational wavefunction technique we show that in the presence of long-range Coulomb interactions the clean bilayer is always…
In this paper we present a mathematical analysis of the photoelectric effect for one-electron atoms in the framework of non-relativistic QED. We treat photo-ionization as a scattering process where in the remote past an atom in its ground…