Dynamics of Charge Transfer Along Hydrogen Bond

Abstract

The pseudospin-electron model is formulated for the description of the correlated proton-electron charge transfer in the complex with hydrogen bonds. The energy spectrum of the model is obtained. The ground state diagram is built. The frequency dependence of the real part of conductivity is calculated. The time evolution of the proton and electron transfer along the hydrogen bond is studied. The time dependences of the mean occupancies of proton positions and electron states are obtained by solving the equations of motion for the density matrix components. The conditions, at which the motion of the proton and electron charges are mutually correlated, are considered.

Phase Transitions and Quantum Effects in Anharmonic Crystals

“…Suppose that ν = 1, d ≥ 3, the interaction is of nearest-neighbor type, and V is continuous and such that (16) holds, which includes the case of V (q) = V (−q). Then, for every β > 0, there exist m * > 0 and J * > 0 such that, for all m > m * and J > J * , there exists h * ∈ R, possibly dependent on m, β and J, such that the polarization M (h) becomes discontinuous at h = h * , i.e., the model has a first-order phase transition.…”

“…Anharmonic oscillators are also used in models describing the interaction of vibrating particles with a radiation field, 13,14 strong electron-electron correlations caused by the interaction of electrons with vibrating ions, 15 or charge transfer along hydrogen bounds. 16 If the particle motion obeys the laws of classical mechanics, the low energy states of the particle are degenerate. By this we mean the existence of different states with the same energy, as the particle is confined to one of the wells if its energy is less than the height of the potential barrier separating the wells.…”

Diagrams of State for One-Dimensional Hydrogen-Bonded Proton Conductor

“…We pay special attention to the latter ones since according to experiments [21] and quantum-chemical calculations [22,23] they can be significant in real systems and therefore may affect the system's behaviour considerably. Moreover, for the case of ionic Pauli conductor the short-range interactions are responsible for the transition to CDW-like state [18].…”

Low-frequency dynamics of 1d quantum lattice gas: the case of local potential with double wells

“…Respective local dipole moments are formed by protons together with nearest ions (at the bond creation the part of the hydrogen electronic charge is transferred to them [11]). In this case the effective dipole moments can be ascribed to hydrogen bonds and considered as parameters of model description.…”