Related papers: A step toward density benchmarking -- the energy-r…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
Over the last few decades, phase-field equations have found increasing applicability in a wide range of mathematical-scientific fields (e.g. geometric PDEs and mean curvature flow, materials science for the study of phase transitions) but…
Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…
The present contribution does not aim at replacing the huge and often excellent literature on DFT for atomic nuclei, but tries to provide an updated introduction to this topic. The goal would be, ideally, to help a fresh M.Sc. or Ph.D.…
Estimating expected polynomials of density functions from samples is a basic problem with numerous applications in statistics and information theory. Although kernel density estimators are widely used in practice for such functional…
The formally exact framework of equilibrium Density Functional Theory (DFT) is capable of simultaneously and consistently describing thermodynamic and structural properties of interacting many-body systems in arbitrary external potentials.…
The properties of high-density nuclear and neutron matter are studied using a relativistic mean-field approximation to the nuclear matter energy functional. Based on ideas of effective field theory, nonlinear interactions between the fields…
In crowd counting datasets, each person is annotated by a point, which is usually the center of the head. And the task is to estimate the total count in a crowd scene. Most of the state-of-the-art methods are based on density map…
Mean field theory is widely used in the theoretical studies of neural networks. In this paper, we analyze the role of depth in the concentration of mean-field predictions, specifically for deep multilayer perceptron (MLP) with batch…
The characterization of errors in a quantum system is a fundamental step for two important goals. First, learning about specific sources of error is essential for optimizing experimental design and error correction methods. Second,…
This paper investigates the range ambiguity function of near-field systems where bandwidth and near-field beamfocusing jointly determine the resolution. First, the general matched filter ambiguity function is derived and the near-field…
The study of defects in materials is of utmost importance for technological applications and the design of new materials. In this work, we analyze the performance of density functional approximations on two prototypical sets of defective…
Estimation of density functions supported on general domains arises when the data is naturally restricted to a proper subset of the real space. This problem is complicated by typically intractable normalizing constants. Score matching…
Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…
The accuracy of density-functional theory (DFT) is determined by the quality of the approximate functionals, such as exchange-correlation in electronic DFT and the excess functional in the classical DFT formalism of fluids. The exact…
We review some possible improvements of mean field theory for application to nuclear binding systematics. Up to now, microscopic theory has been less successful than models starting from the liquid drop in describing accurately the global…
Synthetic data generation is a promising technique to facilitate the use of sensitive data while mitigating the risk of privacy breaches. However, for synthetic data to be useful in downstream analysis tasks, it needs to be of sufficient…
Recently (Science, 355, 6320, 2017, 49-52) it was argued that density functionals stray from the path towards exactness due to errors in densities (\rho) of 14 atoms and ions computed with several recent functionals. However, this…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…
The mean-field approximation based on effective interactions or density functionals plays a pivotal role in the description of finite quantum many-body systems that are too large to be treated by ab initio methods. Some examples are…