Related papers: Spectral functions for single- and multi-Impurity …
A light impurity in a Fermi sea undergoes a transition from a polaron to a molecule for increasing interaction. We develop a new method to compute the spectral functions of the polaron and molecule in a unified framework based on the…
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…
We generalize the Bergman-Milton spectral representation, originally derived for a two-component composite, to extract the spectral density function for the effective dielectric constant of a graded composite. This work has been motivated…
We present a simple, perturbative approach for calculating spectral densities for random matrix ensembles in the thermodynamic limit we call the Perturbative Resolvent Method (PRM). The PRM is based on constructing a linear system of…
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…
An inverse problem in spectroscopy is considered. The objective is to restore the discrete spectrum from observed spectrum data, taking into account the spectrometer's line spread function. The problem is reduced to solution of a system of…
We study Harper operators and the closely related discrete magnetic Laplacians (DML) on a graph with a free action of a discrete group, as defined by Sunada. A main result in this paper is that the spectral density function of DMLs…
This work is concerned with the convex analysis of functions defined on (not necessarily finite-dimensional) Hilbert spaces whose values depend solely on a certain ``spectrum'' of the arguments, a class we term ``spectral functions.'' We…
The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical…
This work is concerned with variational analysis of so-called spectral functions and spectral sets of matrices that only depend on eigenvalues of the matrix. Based on our previous work [H. T. B\`ui, M. N. B\`ui, and C. Clason, Convex…
Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
By using the density matrix renormalization group (DMRG) technique, the incommensurate quantum Frenkel-Kontorova model is investigated numerically. It is found that when the quantum fluctuation is strong enough, the \emph{g}-function…
The many-body problem is usually approached from one of two perspectives: the first originates from an action and is based on Feynman diagrams, the second is centered around a Hamiltonian and deals with quantum states and operators. The…
The high-precision solution of the radial Dirac equation is fundamental to relativistic quantum chemistry, essential for reliable pseudopotential generation and all-electron electronic structure methods. However, standard basis-set…
The problem of the mean-square optimal linear estimation of functionals which depend on the unknown values of a stationary stochastic sequence from observations of the sequence with noise is considered. In the case of spectral certainty,…
In this paper, we develop a novel framework to optimally design spectral estimators for phase retrieval given measurements realized from an arbitrary model. We begin by deconstructing spectral methods, and identify the fundamental…
We apply a recently introduced hybridization-flow functional renormalization group scheme for Anderson-like impurity models as an impurity solver in a dynamical mean-field theory (DMFT) approach to lattice Hubbard models. We present how…
Spectral functions of symmetric matrices -- those depending on matrices only through their eigenvalues -- appear often in optimization. A cornerstone variational analytic tool for studying such functions is a formula relating their…
We consider solving a probably ill-conditioned linear operator equation, where the operator is not modeled by physical laws but is specified via training pairs (consisting of images and data) of the input-output relation of the operator. We…