相关论文: Electronic-enthalpy functional for finite systems …
New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…
We study nanomachines whose relevant (effective) degrees of freedom f >> 1 but smaller than f of proteins. In these machines, both the entropic and the quantum effects over the whole system play the essential roles in producing nontrivial…
By using the Jacobi metric of the configuration space, and assuming ergodicity, we calculate the Boltzmann entropy $S$ of a finite-dimensional system around a non-degenerate critical point of its potential energy $V$. We compare $S$ with…
We elaborate on the computation of the pressure of thermal quantum electrodynamics, with massless electrons, to the fifth ($e^5$) order. The calculation is performed within the Feynman gauge and the imaginary-time formalism is employed. For…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
We present a general method for incorporating an external electromagnetic field into descriptions of few-body systems whose strong interactions are described by integral equations. In particular, we address the case where the integral…
Thermodynamic probes can be used to deduce microscopic internal dynamics of nanoscale quantum systems. Several direct entropy measurement protocols based on charge transport measurements have been proposed and experimentally applied to…
Topological quantum phase transitions intrinsically intertwine self-similarity and topology of many-electron wave-functions, and divining them is one of the most significant ways to advance understanding in condensed matter physics. Our…
The electron energy distribution function (EEDF) in low-temperature plasmas exhibits features not fully captured by classical collisional models, particularly across the transition from kinetic to hydrodynamic regimes. This work attributes…
We postulate the existence of universal crossover functions connecting the universal parts of the entanglement entropy to the low temperature thermal entropy in gapless quantum many-body systems. These scaling functions encode the intuition…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
A way to construct Boltzmann entropy, i.e., the entropy as a function of a microscopic pure state, for quantum field systems is proposed. Operators that shift the field in wavevector space are used in the construction. By employing an…
Using information entropy formalism, we consider a one-dimensional system with heat flux and extend the meaning of equilibrium variables to non equilibrium scenarios when classical local equilibrium approach is not applicable; this is…
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…
When confined within an optical cavity, light can exert strong radiation pressure forces. Combined with dynamical backaction, this enables important processes such as laser cooling, and applications ranging from precision sensors to quantum…
The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained,…
In electronic structure calculations, various material properties can be obtained by means of computing the total energy of a system as well as derivatives of the total energy w.r.t. atomic positions. The derivatives, also known as…
The physical foundations of a variety of emerging technologies --- ranging from the applications of quantum entanglement in quantum information to the applications of nonequilibrium bulk and interface phenomena in microfluidics, biology,…
In this article it will be introduced a new theorem, can be considered a generalization of Hellmann-Feynman theorem[1]. The latter used in conjunction with the quantization of the free energy[2] of a quantum system allows to derive…
The virial and the Hellmann--Feynman theorems for massless Dirac electrons in a solid are derived and analyzed using generalized continuity equations and scaling transformations. Boundary conditions imposed on the wave function in a finite…