Related papers: Thermodynamic Limits of Electronic Systems
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
Modeling high temperature (10's or 100's of eV), dense plasmas is challenging due to the multitude of non-negligible physical effects including significant partial ionization and multi-site effects. These effects cause the breakdown or…
Fusion research on magnetic confinement is confronted with a severe problem concerning the electron densities ne to be used in fusion devices. Indeed, high densities are mandatory for obtaining large efficiencies, whereas it is empirically…
The Kondo-Heisenberg model is used for a microscopic demonstration of existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. I use a…
While the ability to measure low temperatures accurately in quantum systems is important in a wide range of experiments, the possibilities and the fundamental limits of quantum thermometry are not yet fully understood theoretically. Here we…
Using the Thomas-Fermi approximation, we show that an interacting two dimensional electron gas may be described in terms of fractional exclusion statistics at zero and finite temperatures when the interaction has a short-range component. We…
The present effort addresses the question about the existence of a well-defined thermodynamic limit for the astrophysical systems with the following power law form: to tend the number of particles, N, the total energy, E, and the…
Fundamental theories and practical methods for large-scale electronic structure calculations are given, in which the computational cost is proportional to the system size. Accuracy controlling methods for microscopic freedoms are focused on…
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…
Shell effects reflects irregularities of physical quantities caused by a discrete energy spectrum. The theory of the shell effects by Kirzhnits and Shpatakovskaya is valid only at relatively low densities providing for oscillations of…
For some insulators we present a procedure to determine an electronic density leading to a lower energy than that of the Kohn-Sham ground state.
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…
Landauer's limit on heat dissipation during information erasure is critical as devices shrink, requiring optimal pure-state preparation to minimise errors. However, Nernst's third law states this demands infinite resources in energy, time,…
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem…
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…
This study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at high temperatures in condensed…
Physically valid and numerically efficient approximations for the exchange and correlation energy are critical for reduced density-matrix functional theory to become a widely used method in electronic structure calculations. Here we examine…
The thermodynamic limit in statistical thermodynamics of many-particle systems is an important but often overlooked issue in the various applied studies of condensed matter physics. To settle this issue, we review tersely the past and…
Developing high power density electronics requires effective and highly reliable cooling techniques with low thermal resistance and high heat removal capacity. Loop heat pipes (LHPs) are one kind of two-phase heat transfer device which can…
Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…