Related papers: Locality and Computational Reliability of Linear R…
Localized unitary operators are basic probes of locality and causality in quantum systems: localized unitary operators create localized excitations in entangled states. Working with an explicit form, we explore the properties of these…
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…
We show that the degree of localization for the modes of a random laser (RL) is affected by the inter mode interaction that is controlled by shaping the spot of the pump laser. By experimentally investigating the spatial properties of the…
We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory (TD-DFT) framework to partition molecular electronic…
We present the development and implementation of the relativistic coupled cluster linear response theory (CC-LR) which allows the determination of molecular properties arising from time-dependent or time-independent electric, magnetic, or…
We consider the use of the energy density for describing a localization of relativistic particles. This method is consistent with the causality requirements. The related positive operator valued measure is presented. The probability…
We investigate the localization properties of the single particle spectrum of a one-dimensional speckle potential in a box. We consider both the repulsive and the attractive cases. The system is controlled by two parameters: the size of the…
We investigate the trade-off between vacuum insensitivity and sensitivity to excitations in finite-size detectors, taking measurement locality as a fundamental constraint. We derive an upper bound on the detectability of vacuum excitation,…
We study both static and transport properties of model quantum dots, employing density functional theory as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation…
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…
Local linear instability refers to the linearized discrete operator exhibiting perturbation growth exceeding that of the corresponding continuous linearized problem. In the context of nonlinear entropy-stable discretizations, we argue that…
Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate…
Recently, several claims have been made that certain fundamental problems of distributed computing, including Leader Election and Distributed Consensus, begin to admit feasible and efficient solutions when the model of distributed…
While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting…
We compare the time evolution of entanglement measures after local operator excitation in the critical Ising model with predictions from conformal field theory. For the spin operator and its descendants we find that Renyi entropies of a…
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…
We present a first principles strategy for developing state-specific density functional approximations for excited states. We first clarify why approaches based on conventional ground state approximations miss density-driven correlations,…
We give the first mathematically rigorous justification of the Local Density Approximation in Density Functional Theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density…
We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional. To do this we first derive an expression for the gradient…
According to Popescu's recent analysis [Phys. Rev. Lett. {\bf72}, 797 (1994)], {\it nonideal} measurements, rather than ideal ones, may be more sensitive to reveal nonlocal correlations between distant parts of composite quantum systems.…