Related papers: First-Principles Electronegativity Scale from the …
A simple, approximate relation is found between the total energy of a free atom and its atomic number: E ~= -Z^{2.411}. The existence of this index is inherent in the Coulomb and many-body nature of the electron-electron interaction in the…
We review recent results on the linear and non-linear optical response of realistic quantum-wire structures. Our theoretical approach is based on a set of generalized semiconductor Bloch equations, and allows a full three-dimensional…
Any interface boundary in an equilibrium system of Coulomb particles is accompanied by the existence of a finite difference in the average electrostatic potential through this boundary. This interface potential drop is a thermodynamic…
We study single-electron charging events in an Al/InAs nanowire hybrid system with deliberately introduced gapless regions. The occupancy of a Coulomb island is detected using a nearby radio-frequency quantum dot as a charge sensor. We…
We present a simple classification of the different liquid and solid phases of quantum Hall systems in the limit where the Coulomb interaction between the electrons is significant, i.e. away from integral filling factors. This…
At the heart of the flourishing field of machine learning potentials are graph neural networks, where deep learning is interwoven with physics-informed machine learning (PIML) architectures. Various PIML models, upon training with density…
Chemical bonding governs how atoms interact to form compounds, thereby determining their physicochemical properties. Despite being an elusive concept, chemical bonding has led to the development of models and tools to explain and predict…
Density functionals with asymptotic corrections to the long-range potential provide entry-level methods for calculations on molecules that can sustain charge transfer, but similar applications in Materials Science are rare. We describe an…
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024…
In the presence of matter there is no fundamental limit preventing confinement of visible light even down to atomic scales. Achieving such confinement and the corresponding intensity enhancement inevitably requires simultaneous control over…
Solidification governs the microstructure and, therefore, the mechanical response of metal components, yet the atomistic details of nucleation and defect formation are often difficult to determine experimentally. Molecular dynamics can…
A novel positive dependence property is introduced, called positive measure inducing (PMI for short), being fulfilled by numerous copula classes, including Gaussian, Fr\'echet, Farlie-Gumbel-Morgenstern and Frank copulas; it is conjectured…
A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…
In the present paper we study the influence of the Coulomb potential on the real and imaginary parts of the plasma-induced susceptibility in a photoionized gas. We show that the real part of the susceptibility is more than one order of…
One of the most interesting predictions resulting from quantum physics, is the violation of classical symmetries, collectively referred to as anomalies. A remarkable class of anomalies occurs when the continuous scale symmetry of a scale…
Optimally extracting information from measurements performed on a physical system requires an accurate model of the measurement interaction. Continuously probing the collective spin of an Alkali atom cloud via its interaction with an…
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of…
Machine learning interatomic potentials (MLIPs) are changing atomistic simulations in the field of chemistry and materials science. However, constructing a single universal MLIP that can accurately model molecular and crystalline systems…
Many-body nuclear theory utilizing microscopic or chiral potentials has developed to the point that collectivity might be dealt with in an {\it ab initio} framework without the use of effective charges; for example with the proper evolution…
In a previous publication we demonstrated that the stable and unstable equilibrium states of prismatic Coulomb actuated Euler-Bernoulli micro-beams, clamped at both ends, can successfully be simulated combining finite element analysis (FEM)…