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This article addresses linear hyperbolic partial differential equations with non-smooth coefficients and distributional data. Solutions are studied in the framework of Colombeau algebras of generalized functions. Its aim is to prove upper…

The scattering of electromagnetic waves by three--dimensional periodic structures is important for many problems of crucial scientific and engineering interest. Due to the complexity and three-dimensional nature of these waves, the fast,…

A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…

We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity in the TC method is well handled with a block-Davidson…

A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…

Usage of a Hamiltonian perturbation theory for a nonconservative system is counterintuitive and in general, a technical impossibility by definition. However, the time-independent dual Hamiltonian formalism for the nonconservative systems…

This study proposes a high-order multi-scale method tailored for time-dependent nonlinear thermo-electro-mechanical coupling problems of composite structures with highly spatial heterogeneity, which incorporate temperature-dependent…

In order to find an approximate solution to the Vlasov-Maxwell equation system describing the lower hybrid wave propagation in magnetic confined plasmas, the use of the WKB method leads to the ray tracing equations. The Hamiltonian…

We study the problem of learning the parameters for the Hamiltonian of a quantum many-body system, given limited access to the system. In this work, we build upon recent approaches to Hamiltonian learning via derivative estimation. We…

We have studied the evolution of the topological properties of a band-engineered AB-stacked bilayer honeycomb structure in the presence of a Haldane flux. Without a Haldane flux, band engineering makes the band touching points (the…

A Koopman decomposition of a complex system leads to a representation in which nonlinear dynamics appear to be linear. The existence of a linear framework with which to analyse nonlinear dynamical systems brings new strategies for…

The paper studies a higher order unfitted finite element method for the Stokes system posed on a surface in three-dimensional space. The method employs generalized Taylor-Hood finite element pairs on tetrahedral bulk mesh to discretize the…

The energy level spacing distribution of a tight-binding hamiltonian is monitored across the mobility edge for a fixed disorder strength. Any mixing of extended and localized levels is avoided in the configurational averages, thus…

We develop a numerical homogenization method for fourth-order singular perturbation problems within the framework of heterogeneous multiscale method. These problems arise from heterogeneous strain gradient elasticity and elasticity models…

We analyze a recent application of homotopy perturbation method to some heat-like and wave-like models and show that its main results are merely the Taylor expansions of exponential and hyperbolic functions. Besides, the authors require…

Introducing low-energy effective Hamiltonians is usual to grasp most correlations in quantum many-body problems. For instance, such effective Hamiltonians can be treated at the mean-field level to reproduce some physical properties of…

We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…

In a typical scenario the diagrammatic many-body perturbation theory generates asymptotic series. Despite non-convergence, the asymptotic expansions are useful when truncated to a finite number of terms. This is the reason for popularity of…

We propose a new, alternative method for ab-initio calculations of the electronic structure of solids, which has been specifically adapted to treat many-body effects in a more rigorous way than many existing ab-initio methods. We start from…

We present a scheme to controllably improve the accuracy of tight-binding Hamiltonian matrices derived by projecting the solutions of plane-wave ab initio calculations on atomic orbital basis sets. By systematically increasing the…