Related papers: Fermi energy determination for advanced smearing t…
Medium field method is applied for studying valence electron behavior in metals. When different wave-vector electrons are attracted at low temperatures, distribution function gets discontinued. As a result, a specific energy gap occurs.
We characterize in a novel manner the physical properties of the low temperature Fermi gas in the degenerate domain as a function of temperature and chemical potential. For the first time we obtain low temperature $T$ results in the domain…
Fermionic reduced density matrices summarize the key observables in fermionic systems. In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to determine the energy and most physical observables of interest.…
Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present…
We investigate the problem of backscattering off a time-dependent and spatially extended barrier in a one-dimensional electron gas. By performing a perturbative expansion in the backscattering amplitude, we compute the total energy density…
In this work, the particle number projection at finite temperature is incorporated into self-consistent Skyrme density functional calculations. In particular, the energies of compound nuclei as a function of deformations are calculated…
Since the internal temperature is less accessible than surface temperature, there is an urgent need to develop accurate and real-time estimation algorithms for better thermal management and safety. This work presents a novel framework for…
We extend the nested sampling algorithm to simulate materials under periodic boundary and constant pressure conditions, and show how it can be used to determine the complete equilibrium phase diagram, for a given potential energy function,…
We present a new method to evaluate vibrational free energies of atomic systems without a priori specification of an interatomic potential. Our model-agnostic approach leverages descriptors, high-dimensional feature vectors of atomic…
We present mechanical measurements performed at low temperatures on cantilever-based microelectro-mechanicalstructures(MEMS) coated with a metallic layer. Two very different coatings are presented in order to illustrate the capabilities of…
The accurate interpretation of experiments with matter at extreme densities and pressures is a notoriously difficult challenge. In a recent work [T.~Dornheim et al., Nature Comm. (in print), arXiv:2206.12805], we have introduced a formally…
The influence of spatial dimensionality and particle-antiparticle pair production on the thermodynamic properties of the relativistic Fermi gas, at finite chemical potential, is studied. Resembling a kind of phase transition, qualitatively…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
The zero-temperature and finite-temperature thermodynamics of two-component Fermi gases with finite-range attractive interaction suffer from fermion sign problem, which seems like an insurmountable problem in exact numerical simulations. In…
We construct unique regular solutions to the minimal nonlinear system of the 1d thermoelasticity. The obtained solution has a positive temperature. Our approach is based on an estimate, using the Fisher information, which seems completely…
We investigate Fermi gases at finite temperature for which the in-medium effective mass may not be constant as a function of the density, the temperature, or the chemical potential. We suggest a formalism that separates the terms for which…
The numerical computation of chemical potential in dense, non-homogeneous fluids is a key problem in the study of confined fluids thermodynamics. To this day several methods have been proposed, however there is still need for a robust…
We study the motion of a slow quantum impurity in one-dimensional environments focusing on systems of strongly interacting bosons and weakly interacting fermions. While at zero temperature the impurity motion is frictionless, at low…
We present a novel technique for enhancing Fermi surface (FS) signatures in the 2D distribution obtained after the 3D momentum density in a crystal is projected along a specific direction in momentum space. These results are useful for…
Finding optimal solutions to combinatorial optimization problems is pivotal in both scientific and technological domains, within academic research and industrial applications. A considerable amount of effort has been invested in the…