Related papers: Spectral Functions with the Density Matrix Renorma…
We improve a recently developed expansion technique for calculating real frequency spectral functions of any one-dimensional model with short-range interactions, by postprocessing computed Chebyshev moments with linear prediction. This can…
For large-scale discrete ill-posed problems, LSQR, a Lanczos bidiagonalization process based Krylov method, is most often used. It is well known that LSQR has natural regularizing properties, where the number of iterations plays the role of…
The one-dimensional (1D) $t-J$ model is investigated using the density matrix renormalization group (DMRG) method. We report for the first time a generalization of the DMRG method to the case of arbitrary band filling and prove a theorem…
Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…
In the Density Matrix Renormalization Group (DMRG), multiple states must be included in the density matrix when properties beyond ground state are needed, including temperature dependence, time evolution, and frequency-resolved response…
Phase retrieval in real or complex Hilbert spaces is the task of recovering a vector, up to an overall unimodular multiplicative constant, from magnitudes of linear measurements. In this paper, we assume that the vector is normalized, but…
We present a class of algorithms based on rational Krylov methods to compute the action of a generalized matrix function on a vector. These algorithms incorporate existing methods based on the Golub-Kahan bidiagonalization as a special…
LSQR, a Lanczos bidiagonalization based Krylov subspace iterative method, and its mathematically equivalent CGLS applied to normal equations system, are commonly used for large-scale discrete ill-posed problems. It is well known that LSQR…
The widely used density matrix renormalization group (DRMG) method often fails to converge in systems with multiple length scales, such as lattice discretizations of continuum models and dilute or weakly doped lattice models. The local…
The density matrix renormalization group (DMRG) is a numerical method that optimizes a variational state expressed by a tensor product. We show that the ground state is not fully optimized as far as we use the standard finite system…
In this paper, we develop algorithms for computing the recurrence coefficients corresponding to multiple orthogonal polynomials on the step-line. We reformulate the problem as an inverse eigenvalue problem, which can be solved using…
The paper is concerned with methods for computing the best low multilinear rank approximation of large and sparse tensors. Krylov-type methods have been used for this problem; here block versions are introduced. For the computation of…
We review our recently developed methods for large-scale electronic structure calculations, both in one-electron theory and many-electron theory. The method are based on the density matrix representation, together with the Wannier state…
Currently, the engineering of miniature spectrometers mainly faces three problems: the mismatch between the number of filters at the front end of the detector and the spectral reconstruction accuracy; the lack of a stable spectral…
We consider the approximation of $B^T (A+sI)^{-1} B$ for large s.p.d. $A\in\mathbb{R}^{n\times n}$ with dense spectrum and $B\in\mathbb{R}^{n\times p}$, $p\ll n$. We target the computations of Multiple-Input Multiple-Output (MIMO) transfer…
We propose a real-space renormalization group algorithm for accurately coarse-graining two-dimensional tensor networks. The central innovation of our method lies in utilizing variational boundary tensors as a globally optimized environment…
Density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. In this work, we develop a perturbation theory of DMRG (PT-DMRG) to largely increase its accuracy in an extremely…
The density matrix renormalization group (DMRG) method and its applications to finite temperatures and two-dimensional systems are reviewed. The basic idea of the original DMRG method, which allows precise study of the ground state…
We present a real-space spectral method for computing the orbital magnetization of crystals. Starting from the commutator form of the orbital magnetization operator, we formulate an energy-resolved spectral function that is amenable to…
Analyzing massive spatial datasets using Gaussian process model poses computational challenges. This is a problem prevailing heavily in applications such as environmental modeling, ecology, forestry and environmental heath. We present a…