Related papers: A variational approach for calculating Auger elect…
Electron-positron momentum distributions measured by the coincidence Doppler broadening method can be used in the chemical analysis of the annihilation environment, typically a vacancy-impurity complex in a solid. In the present work, we…
Molecular vibrational transitions are prime candidates for model-independent searches for variation of the proton-to-electron mass ratio. Searches for present-day variation achieve highest sensitivity with deep molecular potentials. We…
We present a novel generalization of the two-stream method of radiative transfer, which allows for the accurate treatment of radiative transfer in the presence of strong infrared scattering by aerosols. We prove that this generalization…
We describe the design and realization of a scheme for uv laser spectroscopy of singly-ionized iron (Fe II) with very high resolution. A buffer-gas cooled laser ablation source is used to provide a plasma close to room temperature with a…
We describe a variational calculation for the problem of screening of a point charge in a layered correlated metal for dopings close to the Mott transition where the screening is non-linear due to the proximity to the incompressible…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
A variational method is discussed, extending the Gaussian effective potential to higher orders. The single variational parameter is replaced by trial unknown two-point functions, with infinite variational parameters to be optimized by the…
We investigate the role of the bandwidth difference in the Mott metal-insulator transition of a two-band Hubbard model in the limit of infinite dimensions, by means of a Gutzwiller variational wave function as well as by dynamical…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
We discuss the experimental photoemission and inverse photoemission of early transition metal oxides, in the light of the dynamical mean field theory of correlated electrons which becomes exact in the limit of infinite dimensions. We argue…
Auger analysis of high-aspect ratio contact holes of integrated microelectronic devices is a challenging analytical task. Due to geometrical shadowing the primary electron beam and the energy analyser have not the required direct line of…
We give a geometrically exact treatment of percolation through voids around assemblies of randomly placed impermeable barrier particles, introducing a computationally inexpensive approach to finding critical barrier density thresholds…
In this paper we present a formally fourth-order accurate hybrid-variable method for the Euler equations in the context of method of lines. The hybrid-variable (HV) method seeks numerical approximations to both cell-averages and nodal…
We suggest an inverse dispersion method for calculating photonic band diagram for materials with arbitrary frequency-dependent dielectric functions. The method is able to calculate the complex wave vector for a given frequency by solving…
Tailoring charge transport in solids on demand is the overarching goal of condensed-matter research as it is crucial for electronic applications. Yet, often the proper tuning knob is missing and extrinsic factors such as impurities and…
We consider the problem of parameter estimation from a generalized linear model with a random design matrix that is orthogonally invariant in law. Such a model allows the design have an arbitrary distribution of singular values and only…
We consider the problem of parameter estimation in a high-dimensional generalized linear model. Spectral methods obtained via the principal eigenvector of a suitable data-dependent matrix provide a simple yet surprisingly effective…
Any many-body approximation corrected for unphysical repeated collisions in a given condensation channel is shown to provide the same set of equations as they appear by using anomalous propagators. The ad-hoc assumption in the latter theory…
We show that by computing the electron-impurity scattering rate at the first order via Fermi's golden rule, and assuming that the localized impurity potential is of Yukawa form, one obtains a wave vector transfer distribution which is…
The one-electron spectral-weight function of the half-filled ionic Hubbard model is calculated by means of Quantum Monte Carlo. A metallic regimen occurs between two values of the coupling constant (Hubbard U) U1 < U2 . The system is a band…