Related papers: Changes in polarization dictate necessary approxim…
Isoelectronic substitution is an ideal tuning parameter to alter electronic states and correlations in iron-based superconductors. As this substitution takes place outside the conducting Fe planes, the electronic behaviour is less affected…
A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from…
Absorbing a focused, femtosecond X-ray pulse from a Free-Electron Laser (FEL) can lead to extreme electronic excitations in solids. This excitation drives changes of the electronic system over the course of the pulse duration and the…
X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating…
We examine core-level X-ray photoemission spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES) and X-ray emission spectroscopy (XES) in the Falicov-Kimball model by using the exact solution from dynamical mean-field theory.…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
We analyze the applicability of the Fermi-golden-rule description of quasiparticle relaxation in a closed diffusive quantum dot with electron-electron interaction. Assuming that single-particle levels are already resolved but the initial…
Recent theories of hot-electron relaxation in dense hydrogen or deuterium are examined in the light of recent molecular-dynamics simulations as well as various theoretical developments within the two-temperature model. The theoretical work…
We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both resonant and non-resonant inelastic x-ray scattering…
We have developed a polarized hard X-ray photoemission (HAXPES) system to study the ground-state symmetry of strongly correlated materials. The linear polarization of the incoming X-ray beam is switched by the transmission-type phase…
We rederive the dressed atom and the exciton polariton within the {\it same} framework to make clear that their difference only comes from the number of electrons available for photoexcitations. Using it, we analytically show how the time…
The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…
In X-ray photoelectron spectroscopy (XPS), the injected hole interacts with the electronic polarization cloud induced by the hole itself, ultimately resulting in a lower binding energy. Such polarization effect can shift the core-level…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
For the calculation of core-excited states probed through X-ray absorption spectroscopy, the core-valence separation (CVS) scheme has become a vital tool. This approach allows to target such states with high specificity, albeit introducing…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
$^{129}$Xe is an important candidate for the searches of electric dipole moments due to violations of time-reversal and parity violations in diamagnetic atoms. In view of the similarities between the electric dipole moment and the…
Polarization dependence has historically seen extensive use in x-ray spectroscopy to determine magnetic and local geometric properties, but more broadly as a way to gain extra sensitivity to electronic structure at the level of individual…
Measuring the size of permanent electric dipole moments (EDM) of a particle or system provides a powerful tool to test Beyond-the-Standard-Model physics. The diamagnetic $^{129}$Xe atom is one of the promising candidates for EDM experiments…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…