Related papers: Leading corrections to local approximations
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
A potential for the vertex and self-energy correction is derived from the first-order Born theory. The inclusion of this potential in the Dirac equation, together with the Uehling potential for vacuum polarization, allows for a…
In this note we analyse \emph{quantitative} approximation properties of a certain class of \emph{nonlocal} equations: Viewing the fractional heat equation as a model problem, which involves both \emph{local} and \emph{nonlocal}…
In non-diffusive conduction regimes of strongly correlated quantum electron systems, electromagnetic perturbations simultaneously probe the electronic dynamics in time and space: the exchanged energy $\hbar \omega$ excites retarded, i.e.,…
We present a substantial extension of our constraint-based approach for development of orbital-free (OF) kinetic-energy (KE) density functionals intended for the calculation of quantum-mechanical forces in multi-scale molecular dynamics…
We study observables in a conformal field theory which are very closely related to the ones used to describe hadronic events at colliders. We focus on the correlation functions of the energies deposited on calorimeters placed at a large…
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in inaccurate predictions of quantities such as energy band…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
The excess free energy functional of classical density functional theory depends upon the type of fluid model, specifically on the choice of (pair) potential, is unknown in general, and is approximated reliably only in special cases. We…
Nonlocal models of cosmology might derive from graviton loop corrections to the effective field equations from the epoch of primordial inflation. Although the Schwinger-Keldysh formalism would automatically produce causal and conserved…
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…
We present results on quantum quenches in systems with a fixed number of particles in a large region. We show that the typical differences between local and global quenches present in systems with regular thermodynamic limit are lacking in…
Dynamics of high energy scattering in Quantum Chromodynamics (QCD) are primarily probed through detector energy flow correlations. One important example is the Energy-Energy Correlator (EEC), whose back-to-back limit probes correlations of…
We investigate potential quantum nonlinear corrections to Dirac's equation through its sub-leading effect on neutrino oscillation probabilities. Working in the plane-wave approximation and in the $\mu-\tau$ sector, we explore various…
Theoretical treatments of tunneling in electronic devices are often based on one-dimensional (1D) approximations. Here we show that for many nanoscale devices, such as widely studied semiconductor gate-defined quantum dots, 1D…
Rigorous mathematical foundations of density functional theory are revisited, with some use of infinitesimal (nonstandard) methods. A thorough treatment is given of basic properties of internal energy and ground-state energy functionals…
We examine the effect of one loop quantum corrections on the formation of nontopological solitons in a strongly coupled scalar-fermionic Yukawa theory. The exact one fermion loop contribution is incorporated by using a nonlocal method to…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
In loop quantum cosmology the quantum dynamics is well understood. We approximate the full quantum dynamics in the infinite dimensional Hilbert space by projecting it on a finite dimensional submanifold thereof, spanned by suitably chosen…
Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…