Related papers: A coupled cluster framework for electrons and phon…
The theory of Raman scattering by the electron--phonon coupled system in metals and heavily doped semiconductors is developed taking into account the Coulomb screening and the electron--phonon deformation interaction. The Boltzmann equation…
The Hubbard-Holstein model describes fermions on a discrete lattice, with on-site repulsion between fermions and a coupling to phonons that are localized on sites. Generally, at half-filling, increasing the coupling $g$ to the phonons…
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…
Classical coupled harmonic oscillator models are capable of describing the optical and infrared response of nanophotonic systems where a cavity photon couples to dipolar matter excitations. The distinct forms of coupling adopted in these…
We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
We present a Jastrow-factor-inspired variant of coupled cluster theory that accurately describes both weak and strong electron correlation. Compatibility with quantum Monte Carlo allows for variational energy evaluations and an…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
The Hubbard-Holstein model is a simple model including both electron-phonon interaction and electron-electron correlations. We review a body of theoretical work investigating the effects of strong correlations on the electron-phonon…
A simple formula is obtained for coupling electrons in a complex system to the electromagnetic field. It includes the effect of intra-atomic excitations and nuclear motion, and can be applied in. e.g., first-principles-based simulations of…
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…
When an electron interacts with phonons, the electron can exhibit either free electron-like or polaron-like properties. The latter tends to occur for very strong coupling, and results in a phonon cloud accompanying the electron as it moves,…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
Quantum entropies and state distances are analyzed in polaronic systems with short range (Holstein model) and long range (Fr$\ddot{o}$hlich model) electron-phonon coupling. These quantities are extracted by a variational wave function which…
Studies of Hamiltonians modeling the coupling between electrons as well as to local phonon excitations have been fundamental in capturing the novel ordering seen in many quasi-one dimensional condensed matter systems. Extending studies of…
We develop a unified treatment of the piesoelectric coupling between two-dimensional electrons and bulk phonons in both cases of zero and strong magnetic fields, the latter corresponding to even denominator filling fractions. In contrast to…
We present a theoretical description of the coupling between longitudinal optical phonons and collective excitations of a two-dimensional electron gas. By diagonalizing the Hamiltonian of the system, including Coulomb electron-electron and…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
We investigate the interplay of phonons and correlations in superconducting pairing by introducing a model Hamiltonian with on-site repulsion and couplings to several vibration branches having the Cu-O plane of the cuprates as a paradigm.…
The periods of the harmonic oscillations of the ion core of charged sodium clusters around the equilibrium shapes are considered. It is found that these periods are of the order of magnitude of the experimentally measured relaxation times…