Related papers: Leading corrections to local approximations
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…
A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron…
Time-dependent density functional theory has emerged as a method of choice for calculations of spectra and response properties in physics, chemistry, and biology, with its system-size scaling enabling computations on systems much larger…
Faithful representations of atomic environments and general models for regression can be harnessed to learn electron densities that are close to the ground state. One of the applications of data-derived electron densities is to orbital-free…
In this paper we study a local and a non-local regularization of the system of nonlinear elastodynamics with a non-convex energy. We show that solutions of the non-local model converge to those of the local model in a certain regime. The…
Multiplicative logarithmic corrections frequently characterize critical behaviour in statistical physics. Here, a recently proposed theory relating the exponents of such terms is extended to account for circumstances which often occur when…
Kinetic energy (KE) approximations are key elements in orbital-free density functional theory. To date, the use of non-local functionals, possibly employing system dependent parameters, has been considered mandatory in order to obtain…
We study subleading corrections to the corner free energy in classical two-dimensional critical systems, focusing on a generic boundary perturbation by the stress-tensor of the underlying conformal field theory (CFT). In the particular case…
DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…
Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…
An investigation of the validity of the semiclassical approximation to quantum electrodynamics in 1+1 dimensions is given. The criterion for validity used here involves the impact of quantum fluctuations introduced through a two-point…
Ab-initio simulations of quantum transport commonly focus on a central region which is considered to be connected to infinite, periodic leads through which the current flows. The electronic structure of these distant leads is normally…
Nonlocal quantum corrections to gravity have been recently proposed as a possible solution to the cosmological fine tuning problems. We study the dynamics of a class of nonlocal actions defined by a function of the inverse d'Alembertian of…
Multi-configurational wave functions are known to describe electronic structure across a Born-Oppenheimer surface qualitatively correct. However, for quantitative reaction energies, dynamical correlation originating from the many…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…
We present noncovalent quantum machine learning corrections to six physically motivated density functionals with systematic errors. We demonstrate that the missing massively nonlocal and nonadditive physical effects can be recovered by…
Koopmans-compliant functionals emerge naturally from extending the constraint of piecewise linearity of the total energy as a function of the number of electrons to each fractional orbital occupation. When applied to approximate…
We introduce the semiclassical limit to electronic systems by taking the limit $\hbar\rightarrow 0$ in the solution of Schr\"odinger equations. We show that this limit is closely related to one type of strong correlation that is…
Using the quantum effective action in the Schwinger-Keldysh formalism, we derive quantum corrections to the semiclassical Langevin dynamics of a dissipative system governed by a macroscopic degree of freedom. We discuss the connection with…