Related papers: Comment on: Locally self-consistent embedding appr…
Motivated by recent advances in the realization of Truchet-tiling structures in molecular networks and metal-organic frameworks, we investigate the wave localization issue in this kind of structure. We introduce an electron model based on…
This report investigates enhancing semantic caching effectiveness by employing specialized, fine-tuned embedding models. Semantic caching relies on embedding similarity rather than exact key matching, presenting unique challenges in…
We study systems with local vibrating potentials, one-dimensional single and double wells and the tight-binding 1D model with single vibrating site. In general, these systems transmit, or reflect particles inelastically, with absorption or…
Algorithms for signal recovery in compressed sensing (CS) are often improved by stabilization techniques, such as damping, or the less widely known so-called fractional approach, which is based on the expectation propagation (EP) framework.…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
In the last decades, the blossoming of experimental breakthroughs in the domain of electron energy loss spectroscopy (EELS) has triggered a variety of theoretical developments. Those have to deal with completely different situations, from…
Over the last few years there have been dramatic advances in our understanding of mathematical and computational models of complex systems in the presence of uncertainty. This has led to a growth in the area of uncertainty quantification as…
We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…
The realization that electron localization in disordered systems (Anderson localization) is ultimately a wave phenomenon has led to the suggestion that photons could be similarly localized by disorder. This conjecture attracted wide…
Local-spin-density functional calculations may be affected by severe errors when applied to the study of magnetic and strongly-correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in…
This paper proposes an approach, Spectral Dynamics Embedding Control (SDEC), to optimal control for nonlinear stochastic systems. This method reveals an infinite-dimensional feature representation induced by the system's nonlinear…
Based on the statistical dynamical mean field theory, we investigate, in a generic model for a strongly coupled disordered electron-phonon system, the competition between polaron formation and Anderson localization. The statistical…
A completely opposite behavior of electronic localization is revealed in a spatially non-uniform disordered material compared to the traditional spatially uniform disordered one. This fact is substantiated by considering an order-disorder…
A self-consistent mode-coupling theory is presented for the viscosity of solutions of charged rod-like polymers. The static structure factor used in the theory is obtained from polymer integral equation theory; the Debye-H\"{u}ckel…
A recently developed upscaling technique, the multicontinuum homogenization method, has gained significant attention for its effectiveness in modeling complex multiscale systems. This method defines multiple continua based on distinct…
We study continuous finite element dicretizations for one dimensional hyperbolic partial differential equations. The main contribution of the paper is to provide a fully discrete spectral analysis, which is used to suggest optimal values of…
Spin chains with symmetry-protected edge zero modes can be seen as prototypical systems for exploring topological signatures in quantum systems. These are useful for robustly encoding quantum information. However in an experimental…
The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…
Energy spectrum and thermodynamics of the pseudospin-electron model introduced at the consideration of the anharmonicity effects in high-$T_c$ superconductors are investigated in the dynamical mean field approximation ($d=\infty$ limit). In…
We consider the relative configurational entropy per cell S_Delta as a measure of the degree of spatial disorder for systems of finite-sized objects. It is highly sensitive to deviations from the most spatially ordered reference…