Related papers: Tensor decomposition methods for correlated electr…
A short review of recent results on the global performance of covariant energy density functionals is presented. It is focused on the analysis of the accuracy of the description of physical observables of ground and excited states as well…
The electromagnetic (EM) radiation force-per-length exerted on a pair of electrically-conducting cylindrical particles of circular and non-circular cross-sections is examined using a formal semi-analytical method based on boundary matching…
We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…
We generalize the energy-based discontinuous Galerkin method proposed in [SIAM J. Num. Anal., 53(6):2705-2726, 2015.] to second-order semilinear wave equations. A stability and convergence analysis is presented along with numerical…
We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways through use of the uniform electron gas as a joint reference. We…
We provide a systematic test of empirical theories of covalent bonding in solids using an exact procedure to invert ab initio cohesive energy curves. By considering multiple structures of the same material, it is possible for the first time…
Wave functions and electron potentials of laterally-confined surface states are determined experimentally by means of photoemission from stepped Au(111) surfaces. Using an iterative formalism borrowed from x-ray diffraction, we retrieve the…
The measurement and analysis of Electrodermal Activity (EDA) offers applications in diverse areas ranging from market research, to seizure detection, to human stress analysis. Unfortunately, the analysis of EDA signals is made difficult by…
Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional CI methods are not size extensive hence the error increases as the system gets larger. Coupled…
Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such methods reduce to truncations of the many-body expansion…
We present an analytical framework capable of describing spin-waves dynamic in magnetic hetero-structures composed of a pair of exchange-decoupled magnetic layers separated by a nonmagnetic spacer, focusing in particular on garnet-based…
We consider a separation problem where the observation consists of the sum of a high amplitude smooth signal and a low amplitude transient signal. We propose a method for decomposition that relies on solving instances of a `constrained…
We present an extensive comparative study of ground-state densities and pair distribution functions for electrons confined in two-dimensional parabolic quantum dots over a broad range of coupling strength and electron number. We first use…
Tensor-ring decomposition of tensors plays a key role in various applications of tensor network representation in physics as well as in other fields. In most heuristic algorithms for the tensor-ring decomposition, one encounters the problem…
The article presents mathematical generalization of results which originated as solutions of practical problems, in particular, the modeling of transitional processes in electrical circuits and problems of resource allocation. However, the…
Producing large complex simulation datasets can often be a time and resource consuming task. Especially when these experiments are very expensive, it is becoming more reasonable to generate synthetic data for downstream tasks. Recently,…
The antisymmetrized geminal power (AGP) wave function has a long history and considerable conceptual appeal, but in many situations its accuracy is wanting. Here, we consider a form of configuration interaction (CI) based upon the AGP wave…
An expression for the electromagnetic field energy density in a dispersive, lossy, left-handed metamaterial, consisting of an array of split-ring resonators and an array of wires is derived. An electromagnetic field with general…
We extend the active space decomposition method, recently developed by us, to more than two active sites using the density matrix renormalization group algorithm. The fragment wave functions are described by complete or restricted…
We overview recent developments of electronic orderings and associated cross correlations in condensed matter physics based on a complete set of multipole representations (electric, magnetic, electric toroidal, and magnetic toroidal…