Related papers: Vibronic coupling in energy transfer dynamics and …
The role of local electron-vibration and electron-electron interactions on the thermoelectric properties of molecular junctions is theoretically analyzed focusing on devices based on fullerene molecules. A self-consistent adiabatic approach…
We study heat transfer between conductors, mediated by the excitation of a monomodal harmonic oscillator. Using a simple model, we show that the onset of rectification in the system is directly related to the nonlinearity of the electron…
The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal…
We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…
The harmonic oscillations of a spring-ball model of benzene-like nanosystems with Hooke's law interactions between nearest, second, and third neighbors are explored. We show that in the cylindrical coordinates the dynamics of this cyclic…
We investigate the analytic structure of thermal energy-momentum tensor correlators at large but finite coupling in quantum field theories with gravity duals. We compute corrections to the quasinormal spectra of black branes due to the…
The nonadiabatic electron-phonon corrections for the superconducting pairing are investigated for a specific tight-binding model corresponding to a 2d square lattice. This permits to investigate the role of various specific properties like…
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing…
Exact diagonalisations of the extended Hubbard model are performed. In the insulating regime it is shown that the nearest neighbour copper-oxygen repulsion, $V$, leads to Frenkel excitons in the charge transfer gap at values of $V$ of the…
We introduce a two-band Kondo-lattice model to describe ferromagnetic half-metals with local magnetic moments. In a model study, the electronic and magnetic properties are presented by temperature dependent magnetization curves,…
We consider possible superconducting instabilities in a two-dimensional Fermi system with short-ranged repulsive interactions between electrons. The possibility of an unusual superconducting paring due to the Kohn-Luttinger mechanism is…
We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [J. Chem. Phys. 137, 154107 (2012)]. To properly describe…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
Control over the quantum states of a massive oscillator is important for several technological applications and to test the fundamental limits of quantum mechanics. Addition of an internal degree of freedom to the oscillator could be a…
The competition between d-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational…
We study the single-particle spectrum of three-dimensional Weyl semimetals taking into account electron-phonon interactions that are the result of straining the material. We find that a well-defined fermionic excitation appears in addition…
Strong electron correlations lie at the origin of transformative phenomena such as colossal magneto-resistance and high-temperature superconductivity. Already near room temperature, doped copper oxide materials display remarkable features…
In conventional metals, electron-phonon coupling, or the phonon-mediated interaction between electrons, has long been known to be the pairing interaction responsible for the superconductivity. The strength of this interaction essentially…