相关论文: Generalized Holstein model for spin-dependent elec…

Excited state hydrogen transfer (ESHT) is responsible to various photochemical processes of aromatics including photoprotection of nuclear basis. Its mechanism is explained by the internal conversion from aromatic $\pi$$\pi$* to…

Different energy shifts for majority and minority electrons occur. Thus, for example in case of (laser) excited ferromagnetic metals majority and minority electrons may respond differently in time during closing the exchange splitting. Spin…

We introduce a mathematically rigorous analysis of a generalized spin-boson system for the treatment of a donor-acceptor (reactant-product) quantum system coupled to a thermal quantum noise. The donor/acceptor probability dynamics describes…

The effects of electromagnetic fields (EMF) have been widely debated concerning their role in chemical reactions. Reactions usually took hours or days to complete, and have been shown to happen a thousand times faster using EMF radiations.…

A charge motion in an electric field in a Holstein molecular chain is modeled in the absence of dissipation. It is shown that in a weak electric field a Holstein polaron moves uniformly experiencing small oscillations of its shape. These…

Nucleon transfer reactions in low-energy deuteron-deuteron scattering are described by solving exact four-particle equations in momentum space. The Coulomb interaction between the protons is included using the screening and renormalization…

We derive an effective polaronic interaction Hamiltonian, {\it exact to second order in perturbation}, for the spinless one-dimensional Holstein model. The small parameter is given by the ratio of the hopping term ($t$) to the polaronic…

We present selected results for the Holstein molecular crystal model in one space dimension as determined by the Global-Local variational method, including complete polaron energy bands, ground state energies, and effective masses. We…

The application of an external, oriented electric field has emerged as an attractive technique for manipulating chemical reactions. Because most applications occur in solution, a theory of electric field catalysis requires treatment of the…

The eigenstate thermalization hypothesis (ETH) is a successful theory that provides sufficient criteria for ergodicity in quantum many-body systems. Most studies were carried out for Hamiltonians relevant for ultracold quantum gases and…

Direct analytical and numerical calculation show that two-electron atomic configuration can be unstable with respect to a static or dynamic shift of the electron shells. This enables to develop a so called non-rigid shell model for a…

We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…

By resorting to a model inspired to the standard Davydov and Holstein-Fr\"ohlich models, in the present paper we study the motion of an electron along a chain of heavy particles modelling a sequence of nucleotides proper to a DNA fragment.…

The dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…

Based on a spin-dependent Boltzmann-Uehling-Uhlenbeck transport model with spin-dependent potentials incorporated using the lattice Hamiltonian method, we have studied the global spin polarization perpendicular to the reaction plane as well…

Interfacial electron-transfer (ET) reactions underpin the interconversion of electrical and chemical energy. Pioneering experiments showed that the ET rate depends on the Fermi Dirac distribution of the electronic density of states (DOS) of…

Under quite generic assumptions the general expression is derived for the probability of circularly polarized photon emission from the longitudinally polarized electron and for the probability of pair creation of longitudinally polarized…

We present a unified formalism for describing chemical reaction rates of trapped, ultracold molecules. This formalism reduces the scattering to its essential features, namely, a propagation of the reactant molecules through a gauntlet of…

At low temperatures and high magnetic fields, electron and hole spins in an organic light-emitting diode (OLED) become polarized so that recombination preferentially forms molecular triplet excited-state species. For low device currents,…

An explanation is provided for the ultrafast photo-excited electron dynamics in low-spin Ruthenium (II) organic complexes. The experimentally-observed singlet to triplet decay in the metal-to-ligand charge-transfer (MLCT) states contradicts…