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Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…
We study the superconducting properties of a two-dimensional superconductor in the proximity to an electronic topological transition (ETT). In contrast to the 3D case, we find that the superconducting gap at T=0, the critical temperature…
Fundamental topological phenomena in condensed matter physics are associated with a quantized electromagnetic response in units of fundamental constants. Recently, it has been predicted theoretically that the time-reversal invariant…
The Invar effect in ferromagnetic Fe-Ni, Fe-Pt, and Fe-Pd alloys is investigated theoretically by means of a computationally efficient scheme. The procedure can be divided into two stages: study of magnetism and calculations of structural…
We consider electromechanical properties of a single-electronic device consisting of movable quantum dot attached to a vibrating cantilever, forming a tunnel contact with a non-movable source electrode. We show that the resonance Kondo…
We studied random resistor networks produced with regular structure and random distribution of edge conductances. These networks are intended to mimic crack-template-based transparent conductive films as well some random networks produced…
The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…
The aim of this work is to verify the new entropic and information inequalities for non-composite systems using experimental $5 \times 5$ density matrix of the qudit state, measured by the tomographic method in a multi-level superconducting…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
This work is devoted to the development of an efficient and robust technique for accurate capturing of the electric field in multi-material problems. The formulation is based on the finite element method enriched by the introduction of…
We propose a systematic coset construction of non-equilibrium effective field theories (EFTs) governing the long-distance and late-time dynamics of relativistic, finite-temperature condensed matter systems. Our non-equilibrium coset…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
Research on strongly correlated electron systems faces a fundamental challenge due to the complex nature of intrinsic many-body correlations. A key strategy to address this challenge lies in advancing experimental methods that can directly…
Understanding the interplay between the structure, composition and opto-electronic properties of semiconductor nano-objects requires combining transmission electron microscopy (TEM) based techniques with electrical and optical measurements…
The interplay of interactions and disorder in two-dimensional (2D) electron systems has actively been studied for decades. The paradigmatic approach involves starting with a clean Fermi liquid and perturbing the system with both disorder…
The Standard Model (SM) of Particle Physics is not capable to account for the apparent matter-antimatter asymmetry of our Universe. Physics beyond the SM is required and is either probed by employing highest energies (e.g., at LHC), or by…
We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
Ultra-light scalar fields and their non-interacting class, the so-called fuzzy dark matter (FDM), are candidates for dark matter, introduced to solve the small-scale problems of the standard cold dark matter. In this paper, we address…
Electronic excitations in atomic, molecular, and crystal targets are at the forefront of the ongoing search for light, sub-GeV dark matter (DM). In many light DM-electron interactions the energy and momentum deposited is much smaller than…