相关论文: Local energy: a basis for local electronegativity …
The local entropy of a nonequilibrium system of independent fermions is investigated, and analyzed in the context of the laws of thermodynamics. It is shown that the local temperature and chemical potential can only be expressed in terms of…
In a large class of factorizing scattering models, we construct candidates for the local energy density on the one-particle level starting from first principles, namely from the abstract properties of the energy density. We find that the…
The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an ${\mathcal N}$-body system. The problem is rigorously explored in a universe…
We propose a systematic method of analyzing pseudopotential transferability based on linear-response properties of the free atom, including self-consistent chemical hardness and polarizability. Our calculation of hardness extends the…
A new pseudopotential generation method is presented which significantly improves transferability. The method exploits the flexibility contained in the separable Kleinman-Bylander form of the nonlocal pseudopotential [Phys. Rev. Lett. 48,…
The Brown-York quasi-local energy of a charged rotating black hole described by the Kerr-Newman metric and enclosed by a fixed-radius surface is computed. No further assumptions on the angular momentum or the radial coordinate in…
It is pointed out that the derivative of the energy density functional does not provide a valid local electronegativity measure, in spite of its appealing property of becoming constant for ground-state equilibrium systems.
We consider the Maxwell-Chern-Simons-Higgs system in Lorenz gauge and use a null condition to show local well-psoedness for low regularity data. This improves a recent result of J. Yuan.
We show that, assuming that quantum mechanics holds locally, the finite speed of information is the principle that limits all possible correlations between distant parties to be quantum mechanical as well. Local quantum mechanics means that…
Quantum mechanics does not provide any ready recipe for defining energy density in space, since the energy and coordinate do not commute. To find a well-motivated energy density, we start from a possibly fundamental, relativistic…
Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula is widely used to evaluate the electrical and thermal…
We demonstrate that the local nonfreeness, an unbiased measure of correlation between electrons at a single lattice site, can be computed as the mutual information between local natural spin orbitals. This leads us to prove a general…
We use the Kondo lattice model to investigate the possibility of ferromagnetism and half-metallicity in local moment systems. Using the spectral density approach and making use of the fact that the spontaneous magnetization of local moment…
We have proposed a program for determining the reference for the quasi-local energy defined in the covariant Hamiltonian formalism. Our program has been tested by applying it to the spherically symmetric spacetimes. With respect to…
For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…
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…
Let \(\Omega\subset\mathbb{C}^n\) be a hyperconvex domain and let \(\chi:\mathbb{R}^-\to\mathbb{R}^+\) be a decreasing function. This note studies the local weighted energy class \(\mathcal{E}_{\chi,\mathrm{loc}}(\Omega)\) introduced in…
A generalized Anderson model for a magnetic impurity in an interacting one-dimensional electron gas is studied via a mapping onto a classical Coulomb gas. For weak potential scattering, the local-moment parameter regime expands as repulsive…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
The historical process of the genesis of the extensive or substance-like quantities took place in two steps. First, global conservation or non-conservation was discovered. Only later did it become possible to formulate the balance locally…