Related papers: Ab-initio self-energy corrections in systems with …
Hedin's $GW$ approximation to the electronic self-energy has been impressively successful to calculate quasiparticle energies, such as ionization potentials, electron affinities, or electronic band structures. The success of this fairly…
Canonically, the quantum electrodynamic radiative corrections in bound systems have been evaluated in photon energy regularization, i. e. using a noncovariant overlapping parameter that separates the high-energy relativistic scales of the…
The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional…
We present an ab initio GW calculation to study dynamical effects on an organic compound (TMTSF)2PF6. Calculated polarized reflectivities reproduce experimental plasma edges at around 0.2 eV for E||b' and 1.0 eV for E||a. The low-energy…
In highly correlated systems one can define an optical self energy in analogy to its quasiparticle (QP) self energy counterpart. This quantity provides useful information on the nature of the excitations involved in inelastic scattering…
The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy band theory for warm dense matter (WDM) is proposed and a new…
QED corrections to the $g$ factor of Li-like and B-like ions in a wide range of nuclear charges are presented. Many-electron contributions as well as radiative effects on the one-loop level are calculated. Contributions resulting from the…
Electron correlation in finite and extended systems is often described in an effective single-particle framework within the $GW$ approximation. Here, we use the statically screened second-order exchange contribution to the self-energy…
In small Fermi energy metals, disorder can deeply modify superconducting state properties leading to a strong suppression of the critical temperature $T_c$. In this paper, we show that also normal state properties can be seriously…
Self-consistent calculations of the energy-loss spectra of charged particles moving near a plane-bounded free electron gas are reported. Energy-loss probabilities are obtained, within linear-response theory, from the knowledge of the…
The errors arising in ab initio density functional theory studies of semiconductor point defects using the supercell approximation are analyzed. It is demonstrated that a) the leading finite size errors are inverse linear and inverse cubic…
We calculate the electromagnetic corrections to the isospin invariant mixing angle and to the two eigenphases for the $s$-, $p_{1/2}$- and $p_{3/2}$-partial waves for $\pi^- p$ elastic and charge exchange scattering. These corrections have…
Nowadays pseudopotential density-functional theory calculations constitute the standard approach to tackle solid-state electronic problems. These rely on distributed pseudopotential tables that were built from all-electron atomic…
We develop an interpolating self-energy approach to the correlated Kondo-lattice model. The correlation of the band electrons is taken into account by a Hubbard interaction. The method is based on a self-energy ansatz, the structure of…
Context. The QUBIC collaboration is building a bolometric interferometer dedicated to the detection of B-mode polarization fluctuations in the Cosmic Microwave Background. Aims. We introduce a self-calibration procedure related to those…
We report calculations of the one-loop self-energy correction to the bound-electron $g$ factor of the $1s$ and $2s$ states of light hydrogen-like ions with the nuclear charge number $Z \le 20$. The calculation is carried out to all orders…
The investigation of the electronic properties of semiconductor surfaces using scanning tunnelling spectroscopy (STS) is often hindered by non-equilibrium transport of the injected charge carriers. We propose a correction method for the…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
The lack of an energy barrier in stabilizer Hamiltonians is well known to be an indication of short thermalisation times; and serves as a simple criteria to rule out self-correction. Its applicability has recently been challenged by the…
Motivated by recent quantum oscillation observations in the underdoped high-temperature superconductors, the effect of the short-range antiferromagnetic correlations on the electronic properties of the short-ranged d-density wave state is…