Related papers: Local energy: a basis for local electronegativity …
The applicability of the local hardness as defined by the derivative of the chemical potential with respect to the electron density is undermined by an essential ambiguity arising from this definition. Further, the local quantity defined in…
Finding a proper local measure of chemical hardness has been a long-standing aim of density functional theory. The traditional approach to defining a local hardness index, by the derivative of the chemical potential with respect to the…
Recent advances in quantum thermodynamics have been focusing on ever more elementary systems of interest, approaching the limit of a single qubit, with correlations, strong coupling and non-equilibrium environments coming into play. Under…
We derive expressions for the expectation values of the local energy and the local power transferred by an external electrical field to a many-particle system of interacting spinless electrons. In analogy with the definition of the (local)…
Quantum criticality provides a means to understand the apparent non-Fermi liquid phenomena in correlated electron systems. How to properly describe quantum critical points in electronic systems has however been poorly understood. The issues…
Some recent attempts at measuring non local weak values via local measurements are discussed and shown to be less robust than standard weak measurements. A method for measuring some non local weak values via non local measurements (non…
Local temperature defined by a local canonical state of the respective subsystem, does not always exist in quantum many body systems. Here, we give some examples of how this breakdown of the temperature concept on small length scales might…
Identifying heterogeneous structures in glasses --- such as localized soft spots --- and understanding structure-dynamics relations in these systems remain major scientific challenges. Here we derive an exact expression for the local…
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…
We define a new gauge independent quasi-local mass and energy, and show its relation to the Brown-York Hamilton-Jacobi analysis. A quasi-local proof of the positivity, based on spacetime harmonic functions, is given for admissible closed…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
A physical system is in local equilibrium if it cannot be distinguished from a global equilibrium by ``infinitesimally localized measurements''. This should be a natural characterization of local equilibrium, but the problem is to give a…
The temperature of a physical system is operationally defined in physics as "that quantity which is measured by a thermometer" weakly coupled to, and at equilibrium with the system. This definition is unique only at global equilibrium in…
Although negative energy densities are predicted by relativistic quantum field theories, I present an argument that an "operational" positivity still holds: the energy in a region, plus the energy of an isolated device which traps or…
The force-balance equation of time-dependent density-functional theory presents a promising route towards obtaining approximate functionals, however, so far, no practical correlation functionals have been derived this way. In this work,…
Abundant evidence has shown the emergence of exotic chemical phenomena under pressure, including the formation of unexpected compounds and strange crystal structures. In many cases, there is no convincing explanation for these phenomena and…
A cardinal obstacle to understanding and predicting quantitatively the properties of solids and large molecules is that, for these systems, it is very challenging to describe beyond the mean-field level the quantum-mechanical interactions…
In the full quantum theory, the energy of a many-body quantum system with a given one-body density is described by the Levy-Lieb functional. It is exact, but very complicated to compute. For practical computations, it is useful to introduce…
Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like…
Thermodynamics relies on the possibility to describe systems composed of a large number of constituents in terms of few macroscopic variables. Its foundations are rooted into the paradigm of statistical mechanics, where thermal properties…