Related papers: A Numerical Method for the Efficient Calculation o…
The rapid progress in quantum-optical experiments especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows to substantially modify and control chemical and physical properties of atoms, molecules and solids by…
The detection of dark matter is central to particle physics and cosmology. Current fashionable supersymmetric models provide a dark matter candidate, the lightest supersymmetric particle (LSP). When combined with fairly well understood…
We develop a formalism to describe the scattering of dark matter (DM) particles by electrons bound in crystals for a general form of the underlying DM-electron interaction. Such a description is relevant for direct-detection experiments of…
Iron-sulfur clusters comprise an important functional motif of the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient conditions. This remarkable capability derives from a notoriously…
In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena can be related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding…
The interactions of dark matter with Standard Model particles can be systematically studied in the language of effective field theories. We investigate dark matter interactions with Standard Model particles, including spin-dependent…
We propose a versatile software package in the form of a Python extension, named CDEF (Computing Debye's scattering formula for Extraordinary Formfactors), to approximately calculate scattering profiles of arbitrarily shaped nanoparticles…
X-Ray Thomson Scattering (XRTS) is an important experimental technique used to measure the temperature, ionization state, structure, and density of warm dense matter (WDM). The fundamental property probed in these experiments is the…
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational wavefunction composed of a few hundred optimized…
We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…
A fast method for the computation of layer potentials that arise in acoustic scattering is introduced. The principal idea is to split the singular kernel into a smooth and a local part. The potential due to the smooth part is computed…
Thermally activated delayed fluorescence (TADF) emitters are essential for next-generation, high-efficiency organic light-emitting diodes (OLEDs), yet their rational design is hampered by the high computational cost of accurate…
High-level vibrational calculations have been used to investigate anharmonicity in a wide variety of materials using density-functional-theory (DFT) methods. We have developed a new and efficient approach for describing strongly-anharmonic…
Ultra-light dark matter candidates, such as axions and dark photons, particularly within the mass range of $\mu$eV to meV, have garnered significant research interest. However, the effectiveness of existing experiments is often hindered by…
The detection of the theoretically expected dark matter is central to particle physics and cosmology. Current fashionable supersymmetric models provide a natural dark matter candidate which is the lightest supersymmetric particle (LSP).…
Event detection rates for WIMP-nucleus interactions are calculated for $^{71}$Ga, $^{73}$Ge, $^{75}$As and $^{127}$I (direct dark matter detectors). The nuclear structure form factors, that are rather independent of the underlying beyond…
We have developed a couple of optimal damping algorithms (ODAs) for unrestricted Hartree-Fock (UHF) calculations of open-shell molecular systems. A series of equations were derived for both concurrent and alternate constructions of alpha-…
Understanding many processes, e.g. fusion experiments, planetary interiors and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter (WDM) and hot dense plasma. This complex state of matter consists of a…
We present an efficient machine learning framework for detection and classification of nanoparticles on surfaces that are detected in the far-field with Coherent Fourier Scatterometry (CFS). We study silicon wafers contaminated with…
Study of far-from-equilibrium thermalization dynamics in quantum materials, including the dynamics of different types of quasiparticles, is becoming increasingly crucial. However, the inherent complexity of either the full quantum…