相关论文: Electron-phonon coupling from GW perturbation theo…

The energy density functional (EDF) method is currently the only microscopic theoretical approach able to tackle the entire nuclear chart. Nevertheless, it suffers from limitations resulting from its empirical character and deteriorating…

Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…

Electron-phonon coupling often dominates the electron spectral functions and carrier transport properties. However, studies of this effect in real materials have largely relied on perturbative one-shot methods due to the lack of a…

Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust instantaneously to nuclear motion. The exact factorization (EF)…

In this article in the framework of generalized Frolich model we consider electron-spin-phonon system. A parameter of electron-spin-phonon interaction is found. It is shown its interrelation with experiments on isotope-effect on high…

We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\Sigma method is employed with…

Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…

The ground state phase diagram of the half-filled one-dimensional Holstein-Hubbard model contains a charge-density-wave (CDW) phase, driven by the electron-phonon (e-ph) coupling, and a spin-density-wave (SDW) phase, driven by the on-site…

ComDMFT is a parallel computational package designed to study the electronic structure of correlated quantum materials from first principles. Our approach is based on the combination of first-principles methods and dynamical mean field…

Using a controlled analytic treatment, we derive a model that generically describes cooperative strong electron-phonon interaction (EPI) in one-band and two-band Jahn-Teller (JT) systems. The model involves a {\em next-nearest-neighbor}…

Laser control of solids was so far mainly discussed in the context of strong classical nonlinear light-matter coupling in a pump-probe framework. Here we propose a quantum-electrodynamical setting to address the coupling of a…

Electron-phonon coupling is known to play an important role in the charge dynamics of semiconductor quantum dots. Here we explore its role in the combined charge-photon dynamics of cavity-coupled double quantum dots. Previous work on these…

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.…

We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…

Based on two-dimensional particle-in-cell simulations a novel approach towards Electron Energy Probability Function (EEPF) and plasma chemistry control by Current Waveform Tailoring (CWT) in the coil of inductively coupled discharges is…

Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a variety of methods that can capture all aspects, from…

We propose an electron-phonon parameterization which reliably reproduces the geometry and harmonic frequencies of a real system. With respect to standard electron-phonon models, it adds a "double-counting" correction, which takes into…

The nearly aligned Higgs Effective Field Theory (naHEFT) is based on the general assumption: all deviations in the Higgs boson couplings are originated from quantum one-loop effects of new particles that are integrated out. If the new…

We simulate spectral functions for electron-phonon coupling in a filled band system - far from the asymptotic limit often assumed where the phonon energy is very small compared to the Fermi energy in a parabolic band and the Migdal theorem…

Atomic hydrogen provides a unique test case for computational electronic structure methods, since its electronic excitation energies are known analytically. With only one electron, hydrogen contains no electronic correlation and is…