Related papers: A new approach to local hardness
The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a…
Hyperuniform particle arrangements are characterized by a local number variance that grows more slowly than the volume of the observation window. We generalize this concept to describe particle systems in which particles carry weights:…
A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption…
The recently developed "internal" Density Functional Theory provides an existence theorem for a local potential that contains the center-of-mass correlations effects. The knowledge of the corresponding energy functional would provide a much…
Depending on the recent experiments and some new way of explaining electron we have developed here equations for velocities of different mode with the charge density. This includes as well how the charge-density can be distributed in the…
The definition of accessible coherence is proposed. Through local measurement on the other subsystem and one way classical communication, a subsystem can access more coherence than the coherence of its density matrix. Based on the local…
The aim of this paper is to give a sharp definition of Bell's notion of local causality. To this end, first we unfold a framework, called local physical theory, integrating probabilistic and spatiotemporal concepts. Formulating local…
The purpose of this article is to review the developments related to the notion of local fractional derivative introduced in 1996. We consider its definition, properties, implications and possible applications. This involves the local…
Bound states around an impurity are investigated for a two dimensional electron system in a strong magnetic field. Long-range Coulomb potential and related potentials are considered. Schr\"odinger equation is solved numerically to obtain…
Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…
We investigate the dependence of the hardness of materials on their elastic stiffness. This is possible by constructing a series of model potentials of the Morse type; starting on modelling natural Cu, the model potential exhibit an…
The concept of "fragility", which was introduced to characterize the degree of super-Arrhenius temperature dependence of the relaxation time and transport coefficients, has since been taken as a key quantity that seems to correlate with…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…
The values of molecular polarizabilities and softnesses of the twenty amino acids were computed ab initio (MP2). By using the iterative Hirshfeld scheme to partition the molecular electronic properties, we demonstrate that the values of the…
A connection is revealed between the superposition principle and locality. A self consistent interpretation of the superposition principle is put forth, from which it is shown that quantum mechanics may be a local statistical theory. Then…
Understanding how electronic structure determines the reactivity of solid surface, is a central topic of modern surface science. This is mostly commonly done through some intermediate quantity termed descriptor. However, such descriptors…
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…
We present a novel analytical method for calculating the spectral function and the density of states in speckle potentials, valid in the semiclassical regime. Our approach relies on stationary phase approximations, allowing us to describe…
Gauge/gravity duality applied to strongly interacting systems at finite density predicts a universal intermediate energy phase to which we refer as a semi-local quantum liquid. Such a phase is characterized by a finite spatial correlation…
The optimized effective potential method is formulated as a convex minimization problem. This formulation does not require assumptions about $v$-representability nor functional differentiability. The formulation provides a natural framework…