Related papers: A coupled cluster framework for electrons and phon…
We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…
Phase diagram of the Hubbard-Holstein model in the coexistence of electron-electron and electron-phonon interactions has been theoretically obtained with the density-matrix renormalization group method for one-dimensional (1D) systems,…
We investigate the role of electron-electron and electron-phonon interactions in strongly correlated systems by performing unbiased quantum Monte Carlo simulations in the square lattice Hubbard-Holstein model at half-filling. We study the…
We investigate the localized-electron character of the Mott-insulating phase in A$_3$C$_{60}$ using a single-site multiorbital electron model coupled to anisotropic molecular vibrations (Jahn--Teller phonons). We apply the spherical-tensor…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
The equilibration of electronic carriers in metals after excitation by an ultra-short laser pulse provides an important class of non-equilibrium phenomena in metals and allows measuring the effective electron-phonon coupling parameter.…
We propose a method to calculate the charge dynamical structure factors for the ground states of correlated electron systems based on the variational Monte Carlo method. Our benchmarks for the one- and two-dimensional Hubbard models show…
The coupling of electrons and phonons is governed wisely by the symmetry properties of the crystal structures. In particular, for two-dimensional (2D) systems, it has been suggested that the electrons do not couple to phonons with pure…
An efficiency of the Tucker decomposition of amplitude tensors within the single-reference relativistic coupled cluster method with single and double excitations (RCCSD) was studied in a series of benchmark calculations for (AuCl)$_n$…
The ability to control and modify infrared excitations in condensed matter is of both fundamental and application interests. Here we explore a system supporting low-energy excitations, in particular, mid-infrared localized plasmon modes and…
Non-diffusive, fluid-like transport of charge and heat has been observed in several materials, raising the question of whether they can emerge simultaneously and how they are related to bi-component electron-phonon fluids. Here we introduce…
We investigate the interaction of strongly correlated electrons with phonons in the frame of the Hubbard-Holstein model. The electron-phonon interaction is considered to be strong and is an important parameter of the model besides the…
We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calculation of ionization potential (IP), electron affinity (EA)…
Quantum geometry is crucial for understanding intricate condensed matter systems, governing transport phenomena and optical responses. However, traditional studies predominantly consider a static crystal lattice, focusing exclusively on the…
The pair-coupled-cluster doubles (pCCD) method has emerged as a viable approach for quantum-chemical studies of strongly correlated systems. Despite its lower formal scaling (O(N$^4$)) compared to other versions of coupled cluster (CC)…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
We study experimentally the Raman response of the undoped high-Tc parent compound $YBa_2Cu_3O_6$, and give a unified theory of the two-magnon Raman peak and optical conductivity based on the Hubbard-Holstein model with electron-phonon…
We numerically and analytically calculate the properties of the bipolaron in an extended Hubbard Holstein model, which has a longer range electron-phonon coupling like the Fr\" ohlich model. In the strong coupling regime, the effective mass…
Light-mass bipolarons in off-diagonally coupled electron-phonon systems provide a potential route to bipolaronic high-Tc superconductivity. While there has been numerical progress in the physically relevant limit of slow phonons, more…
A single electron in one dimensional lattice is considered within the framework of extended Holstein model at strong-coupling limit. Disordered density-displacement type electron-phonon interaction is proposed. Basic parameters of small…