Related papers: Density-Matrix Algorithm for Phonon Hilbert Space …
Dynamic density-matrix renormalization provides valuable numerical information on dynamic correlations by computing convolutions of the corresponding spectral densities. Here we discuss and illustrate how and to which extent such data can…
Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…
Although the density functional theory plus Hubbard $U$ correction method (DFT+U) is broadly used to study electronic structure of strongly correlated materials, the extension of this method to electron-phonon $g$ matrices has received…
The three band p-d model of strongly correlated electrons interacting with optical phonon via diagonal and off-diagonal electron-phonon interaction is considered within cluster perturbation theory. At first step the exact diagonalization of…
Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in…
An efficient numerical method is developed using the matrix product formalism for computing the properties at finite energy densities in one-dimensional (1D) many-body localized (MBL) systems. Arguing that any efficient (possibly quantum)…
We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess…
We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous…
The two-site Holstein model represents a first non-trivial paradigm for the interaction between an itinerant charge with a quantum oscillator, a very common topic in different ambits. Exact results can be achieved both analytically and…
We consider chains with an optical phonon spectrum and study the reduced density matrices which occur in density-matrix renormalization group (DMRG) calculations. Both for one site and for half of the chain, these are found to be…
A perturbative study of the Holstein Molecular Crystal Model which accounts for lattice structure and dimensionality effects is presented. Antiadiabatic conditions peculiar of narrow band materials and an intermediate to strong…
We solve the problem of resonance statistics in systems with broken time-reversal invariance by deriving the joint probability density of all resonances in the framework of a random matrix approach and calculating explicitly all n-point…
We propose a method for reconstruction of the density matrix from measurable time-dependent (probability) distributions of physical quantities. The applicability of the method based on least-squares inversion is - compared with other…
A dynamic density-matrix renormalisation group approach to the spectral properties of quantum impurity problems is presented. The method is demonstrated on the spectral density of the flat-band symmetric single-impurity Anderson model. We…
We review recently introduced numerical methods for the unbiased detection of the order parameter and/or dominant correlations, in many-body interacting systems, by using reduced density matrices. Most of the paper is devoted to the…
We present exact methods for the numerical integration of the Wannier-Stark system in a many-body scenario including two Bloch bands. Our ab initio approaches allow for the treatment of a few-body problem with bosonic statistics and strong…
We present a first-principles approach to electronic many-body systems strongly coupled to cavity modes in terms of matter-photon one-body reduced density matrices. The theory is fundamentally non-perturbative and thus captures not only the…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
We present an extension of constrained-path auxiliary-field quantum Monte Carlo (CP-AFQMC) for the treatment of correlated electronic systems coupled to phonons. The algorithm follows the standard CP-AFQMC approach for description of the…