Related papers: A Scalable Configuration-Interaction Impurity Solv…
DMFT combined with finite-T exact diagonalization is one of the methods to describe electronic properties of strongly correlated materials. Because of the rapid growth of the Hilbert space, the size of the finite bath used to represent the…
Strongly correlated quantum impurities under periodic driving can exhibit emergent non-Hermitian phenomena, yet a microscopic understanding has been lacking. We introduce an auxiliary-fermion framework that captures the bath's spin-orbit…
Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…
The Anderson model for a magnetic impurity in a one-dimensional quasicrystal is studied using the numerical renormalization group (NRG). The main focus is elucidating the physics at the critical point of the Aubry-Andre (AA) Hamiltonian,…
We propose that a combination of the semiclassical approximation with Monte Carlo simulations can be an efficient and reliable impurity solver for dynamical mean field theory equations and their cluster extensions with large cluster sizes.…
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…
Magnetic impurities coupled antiferromagnetically to a one-dimensional Heisenberg model are studied by numerical diagonalization of chains of finite clusters. By calculating the binding energy and the correlation function, it is shown that…
Inverse medium problems involve the reconstruction of a spatially varying unknown medium from available observations by exploring a restricted search space of possible solutions. Standard grid-based representations are very general but all…
We propose an integrable model of the spin-1/2 Heisenberg chain coupled to two impurity moments. With the open boundary conditions at the impurity sites, the model can be exactly solved for arbitrary impurity spin and arbitrary exchange…
We consider quantum systems consisting of a linear chain of n harmonic oscillators coupled by a nearest neighbour interaction of the form $-q_r q_{r+1}$ ($q_r$ refers to the position of the $r$th oscillator). In principle, such systems are…
When simulating partial differential equations, hybrid solvers combine coarse numerical solvers with learned correctors. They promise accelerated simulations while adhering to physical constraints. However, as shown in our theoretical…
Rectified flow models have achieved remarkable performance in image and video generation tasks. However, existing numerical solvers face a trade-off between fast sampling and high accuracy solutions, limiting their effectiveness in…
Refractory complex concentrated alloys (RCCAs) are of significant interest for advanced high-temperature applications, owing to their broad compositional range and potential for attractive mechanical properties and oxidation resistance.…
Accurate calculations of strongly correlated materials remain a formidable challenge in condensed matter physics, particularly due to the computational demand of conventional methods. This paper presents an efficient solver for dynamical…
The accurate modeling of spin-orbit coupling (SOC) effects in diverse complex systems remains a significant challenge due to the high computational demands of density functional theory (DFT) and the limited transferability of existing…
Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…
Incremental full configuration interaction (iFCI) closely approximates the FCI limit with polynomial cost through a many-body expansion of the correlation energy, providing highly accurate total energies within a given basis set. To extend…
A Luttinger Liquid coupled to a quantum impurity describes a large number of physical systems. The Hamiltonian consists of left- and right-moving fermions interacting among themselves via a density-density coupling and scattering off a…
The single channel Anderson impurity model is a standard model for the description of magnetic impurities in metallic systems. Usually, the bandwidth represents the largest energy scale of the problem. In this paper, we analyze the limit of…
In this article, we propose the realization of conformal manifolds, which are smooth manifolds of scale-conformal invariant interacting Hamiltonians in two-dimensional quantum many-body systems. Such phenomena can occur in various…