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We study the problem of the crossover from one- to higher-dimensional metals by considering an array of Luttinger liquids (one-dimensional chains) coupled by a weak interchain hopping {\tp.} We evaluate the exact asymptotic low-energy…
The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order…
One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems…
We study the SU(3) symmetric Fermi-Hubbard model (FHM) in the square lattice at $1/3$-filling using numerically exact determinant quantum Monte Carlo (DQMC) and numerical linked-cluster expansion (NLCE) techniques. We present the different…
Density functional theory (DFT) has become the most popular approach to electronic structure across disciplines, especially in material and chemical sciences. Last year, at least 30,000 papers used DFT to make useful predictions or give…
A known issue for future nuclear reactors is helium accumulation inside the steel structure materials, responsible for structural issues such as embrittlement and cracking. One possible solution is using new types of reinforced steel, such…
Understanding and designing inertial confinement fusion (ICF) implosions through radiation-hydrodynamics simulations rely on the accurate knowledge of the equation of state (EOS) of the deuterium and tritium fuels. To minimize the drive…
A lattice spin-fermion model for diluted magnetic semiconductors (DMS) is investigated numerically, improving on previously used mean-field (MF) approximations. Curie temperatures are obtained varying the Mn-spin x and hole n densities, and…
Dark Matter (DM) models providing possible alternative solutions to the small- scale crisis of standard cosmology are nowadays of growing interest. We consider DM interacting with light hidden fermions via well motivated fundamental…
In recent literature on trapped ultracold atomic gases, calculations for 2D-systems are often done within the Dynamical Mean Field Theory (DMFT) approximation. In this paper, we compare DMFT to a fully two-dimensional, self-consistent…
The differential cross-sections for elastic and inelastic neutrino-deuteron scattering are calculated analytically using nucleon-nucleon effective field theory. For elastic scattering, the deuteron axial form factor and the deuteron strange…
Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…
In a recent paper, Kiritsis and Li presented a holographic model to study the competition between different orders at finite doping in holographic superconductors. In the present work, we introduce fermions into such model and study the…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
Improving the predictive capability of molecular properties in ab initio simulations is essential for advanced material discovery. Despite recent progress making use of machine learning, utilizing deep neural networks to improve quantum…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large…
Hafnium hydride is a promising material for next-generation nuclear reactors, particularly as control rods for fast fission and shielding in fusion systems. The material's intrinsic brittleness encourages its use in the form of…
Neutrino experiments in a Forward Physics Facility at the Large Hadron Collider can measure neutrino and antineutrino cross sections for energies up to a few TeV. For neutrino energies below 100 GeV, the inelastic cross section evaluations…
We analyze the neutralino-nucleus elastic cross-section in the MSSM, including contributions from CP-violating phases, using the four-fermi neutralino-quark interaction. Over a wide range of the MSSM parameter space we show the variations…
Suprathermal fusion reactions, initiated by energetic particles slowing down and scattering in dense plasmas, can modify the burn dynamics at inertial confinement fusion (ICF) regimes. A 0D time-dependent Monte-Carlo code has been developed…