Related papers: Locality and Computational Reliability of Linear R…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
For localized and oriented vibrationally excited molecules, the one-body probability density of the nuclei (one-nucleus density) is studied. Like the familiar and widely used one-electron density that represents the probability of finding…
I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well…
The longitudinal dipole response of a quantum dot has been calculated in the far-infrared regime using local spin density functional theory. We have studied the coupling between the collective spin and density modes as a function of the…
Correlations and measures of entanglement in ground state wavefunctions of relativistic quantum field theories are spatially localized over length scales set by the mass of the lightest particle. We utilize this localization to design…
This paper points out the importance of the assumption of locality of physical interactions, and the concomitant necessity of propagation of an entity (in this case, off-shell quanta - virtual gravitons) between two non-relativistic test…
A quantum particle can be localized in a disordered potential, the effect known as Anderson localization. In such a system, correlations of wave functions at very close energies may be described, due to Mott, in terms of a hybridization of…
Non-locality without entanglement is a rather counter-intuitive phenomenon in which information may be encoded entirely in product (unentangled) states of composite quantum systems in such a way that local measurement of the subsystems is…
The Einstein-Podolsky-Rosen nonlocality puzzle has been recognized as one of the most important unresolved issues in the foundational aspects of quantum mechanics. We show that the problem is resolved if the quantum correlations are…
We demonstrate the onset of strong on-site localization in a one-dimensional many-particle system. The localization is obtained by constructing, in an explicit form, a bounded sequence of on-site energies that eliminates resonant hopping…
The modified local spin density functional and the related local potential for excited states is tested by employing the ionization potential theorem. The functional is constructed by splitting $k$-space. Since its functional derivative…
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…
A disordered system of interacting particles exhibits localized behavior when the disorder is large compared to the interaction strength. Studying this phenomenon on a quantum computer without error correction is challenging because even…
Linear response (LR) is an important tool in the computational chemist's toolbox. It is therefore no surprise that the emergence of quantum computers has led to a quantum version, quantum LR (qLR). However, the current quantum era of…
We introduce a generalization of local density of states which is "windowed" with respect to position and energy, called the windowed local density of states (wLDOS). This definition generalizes the usual LDOS in the sense that the usual…
The dielectric behavior of a linear cluster of two or more living cells connected by tight junctions is analyzed using a spectral method. The polarizability of this system is obtained as an expansion over the eigenmodes of the linear…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
In a recent Letter, Dornheim et al. [PRL 125, 085001 (2020)] have investigated the nonlinear density response of the uniform electron gas in the warm dense matter regime. More specifically, they have studied the cubic response function at…
We present a detailed investigation of minimum detection efficiencies, below which locality cannot be violated by any quantum system of any dimension in bipartite Bell experiments. Lower bounds on these minimum detection efficiencies are…
The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and…