Related papers: A new approach to local hardness
We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron…
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 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 introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems one obtains a new class of density functionals, which by design account for the correlations present in the chosen…
In an attempt to find a quasi-local measure of quantum entanglement, we introduce the concept of entanglement density in relativistic quantum theories. This density is defined in terms of infinitesimal variations of the region whose…
We develop a theory of capacities associated with local Muckenhoupt weights. Fundamental properties of local Muckenhoupt weights will be revisited. Weak type boundedness of nonlinear potential and capacitary strong type inequalities…
The electrical conductivity in dense plasmas can be calculated with the relaxation-time approximation provided that the interaction potential between the scattering electron and the ion is known. To date there has been considerable…
An electronic quantity, the correlation strength, is defined as a necessary step for understanding the properties and trends in strongly correlated electronic materials. As a test case, this is applied to the different phases of elemental…
The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
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…
We propose a local regional chemical potential (RCP) analysis method based on an energy window scheme to quantitatively estimate the selectivity of atomic and molecular adsorption on surfaces, as well as the strength of chemical bonding…
The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…
Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…
Quantum nonlocal correlation (QNC) is thought to be more general than quantum entanglement correlation, but the strength of it has not been well defined. We propose a way to measure the strength of QNC basing on the characteristic function.…
The Special Theory of Relativity and Quantum Mechanics merge in the key principle of Quantum Field Theory, the Principle of Locality. We review some examples of its ``unreasonable effectiveness'' (which shows up best in the formulation of…
The notion of probability density for a random function is not as straightforward as in finite-dimensional cases. While a probability density function generally does not exist for functional data, we show that it is possible to develop the…
This paper develops a nonparametric density estimator with parametric overtones. Suppose $f(x,\theta)$ is some family of densities, indexed by a vector of parameters $\theta$. We define a local kernel smoothed likelihood function which for…
We consider the spatially inhomogeneous Landau equation with hard potentials (i.e. with $\gamma \in [0,1]$) on the whole space $\mathbb{R}^3$. We prove existence and uniquenss of solutions for a small time, assuming that the initial data is…