Related papers: Dynamical renormalization of electron-phonon coupl…
The time-dependent density functional theory (TDDFT) is the leading computationally feasible theory to treat excitations by strong electromagnetic fields. Here the theory is applied to coherent optical phonon generation produced by intense…
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…
Ultrafast thermal transport in low-dimensional materials challenges traditional diffusive models due to reduced scattering, strong electron-phonon coupling, and pronounced non-equilibrium effects. To address these complexities, we extend…
Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures above 99 GPa making use of first-principles…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
We report $ab~initio$ calculations of the electronic and vibrational properties in CuPb$_9$(PO$_4$)$_6$O, including the electron-phonon coupling strength via strong-coupling Migdal-Eliashberg theory. We verify the presence of appealing flat…
Adiabatic invariants are introduced and shown to provide an approximate second integral of motion for the non-integrable Dicke model, in the energy region where the system exhibits a regular dynamics. This low-energy region is always…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
In the transient state of d-wave superconductors, we investigate the temporal variation of photoinduced changes in the superfluid weight. We derive the formula that relates the nonlinear response function to the nonequilibrium distribution…
A model of alloy is considered which includes both quenched disorder in the electron subsystem (``alloy'' subsystem) and electron-phonon interaction. For given approximate solution for the alloy part of the problem, which is assumed to be…
Organic molecular materials are potential high-performance thermoelectric materials. Theoretical understanding of thermoelectric conversion in organic materials is essential for rational molecular design for efficient energy conversion…
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…
The effect of Holstein electron-phonon interaction on a Hubbard model close to a Mott-Hubbard transition at half-filling is investigated by means of Dynamical Mean-Field Theory. We observe a reduction of the effective mass that we interpret…
A theory of phonon-mediated superconductivity in strong-coupling amorphous materials is developed based on an effective description of structural disorder and its effect on the vibrational spectrum. The theory accounts for the…
We review mathematical results concerning exponentially small corrections to adiabatic approximations and Born--Oppenheimer approximations.
We present a novel semiclassical phase-space surface hopping approach that goes beyond the Born-Oppenheimer approximation and all existing surface hopping formalisms. We demonstrate that working with a correct phase-space electronic…
The diagonal Born-Oppenheimer correction (DBOC) stems from the diagonal second derivative coupling term in the adiabatic representation, and it can have an arbitrary large magnitude when a gap between neighbouring Born-Oppenheimer (BO)…
A nonperturbative dynamical coupling approach based on tight-binding molecular dynamics is used to evaluate the electron-ion (electron-phonon) coupling parameter in irradiated semiconductors as a function of the electronic temperature up to…
We compare the semiclassical description of NEMS within and beyond the adiabatic approximation. We consider a NEMS model which contains a single phonon (oscillator) mode linearly coupled to an electronic few-level system in contact with…
Using a multistep renormalization group method, we study the low-temperature phases of the interacting one-dimensional (1D) electron gas coupled to phonons. We obtain analytic expressions for the weak-coupling quantum phase boundaries of…