Related papers: Exact numerical diagonalization of one-dimensional…
We use determinant quantum Monte Carlo to study the single particle properties of quasiparticles and phonons in a variant of the two-dimensional Holstein model that includes an additional non-linear electron-phonon (e-ph) interaction. We…
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…
The complex interplay among on-site energy, Hubbard U, and coupling to Holstein and Peierls phonons at the neutral-ionic phase transition is discussed using diagrammatic valence bond calculations. The charge transfer and dimerization…
We consider the non-equilibrium dynamics of a molecular level interacting with local phonon modes in the case of a strong polaronic shift which prevents a perturbative treatment of the problem. Instead, we find that in an adiabatic regime…
The unusual Raman spectrum of MgB$_2$ and its formidable temperature dependence are successfully reproduced by means of a parameter-free \emph{ab initio} nonadiabatic theory that accounts for the electron-hole pair scattering mechanisms…
Electronic transport in a model molecular device coupled to local phonon modes is theoretically analyzed. The method allows for obtaining an accurate approximation of the system's quantum state irrespective of the electron and phonon energy…
The polaron features of the one-dimensional Holstein Molecular Crystal Model are investigated by improving a variational method introduced recently and based on a linear superposition of Bloch states that describe large and small polaron…
The study of electron-phonon interaction as a prominent inelastic effect is of great importance. In the present work, we have studied the inelastic effects due to the first order electron-phonon interactions on electronic properties of…
We study the spectrum and entanglement of phonons produced by temporal changes in homogeneous one-dimensional atomic condensates. To characterize the experimentally accessible changes, we first consider the dynamics of the condensate when…
Here we report an observation of cation-dependent nonadiabaticity in a proton-coupled electron transfer electrode process (PCET) during hydrogen evolution at electrified interfaces of Au(111) single-crystal electrode and electrolytes by…
Due to the dispersion of optical phonons, long range electron-phonon correlations renormalize downwards the coupling strength in the Holstein model. We evaluate the size of this effect both in a linear chain and in a square lattice for a…
Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We investigate the state-to-state transition probability for…
We study the magnetic properties of a frustrated Heisenberg spin chain with a dynamic spin-phonon interaction. By Lanczos diagonalization, preserving the full lattice dynamics, we explore the non-adiabatic regime with phonon frequencies…
We obtain in a direct and rigorous manner a transition from a stable molecular hydrogen $nH_2$ single chain to the quasiatomic two-chain $2nH$ state. We devise an original method composed of an exact diagonalization in the Fock space…
We study nonadiabatic electron transfer within the biased spin-boson model. We calculate the incoherent transfer rate in analytic form at all temperatures for a power law form of the spectral density of the solvent coupling. In the Ohmic…
We analyze the global ground-state (quantum) phase diagram of the one-dimensional Holstein model at half-filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction,…
The interplay of charge, spin and lattice degrees of freedom is studied for quasi-one-dimensional electron and spin systems coupled to quantum phonons. Special emphasis is put on the influence of the lattice dynamics on the Peierls…
We investigate the dynamics of an electron coupled to dispersionless optical phonons in the Holstein model, at high temperatures. The dynamics is conventionally believed to be diffusive, as the electron is repeatedly scattered by optical…
Pauli paramagnetic susceptibility $\chi$ is unaffected by the electron-phonon interaction in the Migdal-Eliashberg context. Fullerene compounds however do not fulfill the adiabatic assumption of Migdal's theorem and nonadiabatic effects are…
This work addresses the one-dimensional problem of Bloch electrons when they are rapidly driven by a homogeneous time-periodic light and linearly coupled to vibrational modes. Starting from a generic time-periodic electron-phonon…