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We present a particle physics quintessence model which agrees well with existing cosmological data, including the position of the acoustic peaks. This model has an inverse power law potential (IPL) with $n=18/7\sim 2.57$ and it gives…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
A new graph-based order parameter is introduced for the characterization of atomistic structures. The order parameter is universal to any material/chemical system, and is transferable to all structural geometries. Three sets of data are…
Determining the structure and following the structural evolution of molecules undergoing chemical reactions is one of the key goals of ultrafast molecular physics and chemistry. Recently, Coulomb explosion imaging has emerged as a promising…
Pseudopotentials, tight-binding models, and $k\cdot p$ theory have stood for many years as the standard techniques for computing electronic states in crystalline solids. Here we present the first new method in decades, which we call…
Associated particle imaging (API) is a non-destructive nuclear technique for the 3D determination of isotopic distributions. By detecting the alpha particle associated with the emitted neutron in the deuterium-tritium fusion reaction with a…
In this paper, we use density functional theory to calculate the electronic structure and properties of 46 metallic and semi-metallic elements. The binding energy and bond charge model (BBC) model is combined with the tight binding and…
Electromagnetic observables are able to give insight into collective and emergent features in nuclei, including nuclear clustering. These observables also provide strong constraints for ab initio theory, but comparison of these observables…
Within the Dirac- and Lorentz-bubble potential models an electronic structure of the doubly-charged negative ion has been studied by a variational method. It is shown that even in the first approximation of this method when a trial wave…
We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions and fixed nuclei. Away from appropriate collisions, we prove the real analyticity of all the reduced densities and density…
A periodic potential applied to a nanotube is shown to lock electrons into incompressible states that can form a devil's staircase. Electron interactions result in spectral gaps when the electron density (relative to a half-filled Carbon…
Molecules and atomic highly charged ions provide powerful low-energy probes of the fundamental laws of physics: Polar molecules possess internal fields suitable to enhance fundamental symmetry violation by several orders of magnitudes,…
The half-line one-dimensional Coulomb potential is possibly the simplest D-dimensional model with physical solutions which has been proved to be successful to describe the behaviour of Rydberg atoms in external fields and the dynamics of…
We review the effects of Coulomb correlation on the linear and non-linear optical properties of semiconductor quantum wires, with emphasis on recent results for the bound excitonic states. Our theoretical approach is based on generalized…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
Electronic transport in multiwall carbon nanotubes and semiconductor nanowires was compared. In both cases, the non ohmic behavior of the conductance, the so-called zero bias anomaly, shows a temperature dependence that scales with the…
Historically, materials discovery has been driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and…
Although C$_{60}$ is a molecular crystal with a bandgap E$_g$ of ~2.5 eV, we show that E$_g$ is strongly affected by injected charge. In sharp contrast to the Coulomb blockade typical of quantum dots, E$_g$ is {\it reduced} by the Coulomb…
Neutral atoms are a promising platform for scalable quantum computing, however prior demonstration of high fidelity gates or low-loss readout methods have employed restricted numbers of qubits. Using randomized benchmarking of…
We present a new scheme to extract numerically ``optimal'' interatomic potentials from large amounts of data produced by first-principles calculations. The method is based on fitting the potential to ab initio atomic forces of many atomic…