Related papers: Density Matrix Embedding from Broken Symmetry Latt…
We propose MESA and DMESA as novel feature matching methods, which utilize Segment Anything Model (SAM) to effectively mitigate matching redundancy. The key insight of our methods is to establish implicit-semantic area matching prior to…
We show that a lattice formulation of density-functional theory (DFT), guided by renormalization-group concepts, can be used to obtain numerical predictions of energy gaps, spin-density profiles, critical exponents, sound velocities,…
Density level sets can be estimated using plug-in methods, excess mass algorithms or a hybrid of the two previous methodologies. The plug-in algorithms are based on replacing the unknown density by some nonparametric estimator, usually the…
As the second component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for extended…
A recently proposed linear-scaling scheme for density-functional pseudopotential calculations is described in detail. The method is based on a formulation of density functional theory in which the ground state energy is determined by…
The Lieb-Schultz-Mattis theorem and its higher dimensional generalizations by Oshikawa and Hastings require that translationally invariant 2D spin systems with a half-integer spin per unit cell must either have a continuum of low energy…
A variant of White's density matrix renormalisation group scheme which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested…
Spectral densities encode non-perturbative information that enters the calculation of a plethora of physical observables in strongly coupled field theories. Phenomenological applications encompass aspects of standard-model hadronic physics,…
In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…
Discrete element modelling (DEM) is one of the most efficient computational approaches to the fracture processes of heterogeneous materials on mesoscopic scales. From the dynamics of single crack propagation through the statistics of crack…
We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices computed via Density Functional Theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus…
Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…
Reducing the radiation dose in computed tomography (CT) is important to mitigate radiation-induced risks. One option is to employ a well-trained model to compensate for incomplete information and map sparse-view measurements to the CT…
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-phonon interactions. Analyzing the single-particle excitation…
An extensive list of results for the ground state properties of spin glasses on random graphs is presented. These results provide a timely benchmark for currently developing theoretical techniques based on replica symmetry breaking that are…
Architected materials can exhibit remarkable combinations of stiffness, strength, and toughness, yet their application is currently limited by an incomplete understanding of how cracks initiate and propagate through their discrete…
We show that metamaterials can be used as a testing ground to investigate spontaneous symmetry breaking associated with non-Hermitian quantum systems. By exploring the interplay between near-field dipolar coupling and material absorption or…
In a quantum many-body system that possesses an additive conserved quantity, the entanglement entropy of a subsystem can be resolved into a sum of contributions from different sectors of the subsystem's reduced density matrix, each sector…
We introduce methods for estimating the spectral density of a random field on a $d$-dimensional lattice from incomplete gridded data. Data are iteratively imputed onto an expanded lattice according to a model with a periodic covariance…
We review the Extended Mean Field Theory (EMFT) approximation and apply it to complex, scalar $\phi^4$-theory on the lattice. We study the critical properties of the Bose condensation driven by a nonzero chemical potential $\mu$ at both…