Related papers: Charge Transfer, Symmetry and Dissipation
Charge Transfer (CT) has enjoyed continuous interest due to increasing experimental control over molecular structure leading to applications in, for example, photovoltaics and hydrogen production. In this paper, we investigate the effect of…
Charge transfer can take place along double helical DNA over distances as long as 30 nanometers. However, given the active role of the thermal environment surrounding charge carriers in DNA, physical mechanisms driving the transfer process…
We show that as an electron transfers between closed-shell molecular fragments at large separation, the exact correlation potential of time-dependent density functional theory gradually develops a step and peak structure in the bonding…
When a light pulse is reflected from a mirror, energy and momentum are exchanged between the electromagnetic field and the material medium. The resulting change in the energy of the reflected photons is directly related to their Doppler…
We study charge fluctuations in single-file dynamics with general charge measures. The exact finite-time distribution of charge fluctuations is obtained in terms of a dressing transformation acting on the finite-time distribution of…
Theoretical description of the charge transfer (CT) exciton across the donor-acceptor interface without the use of a completely localized hole (or electron) is a challenge in the field of organic solar cells. We calculate the total…
We analyze here the minimal conditions for directional motion (net flow in phase space) of a molecular motor placed on a mirror-symmetric environment and driven by a center-symmetric and time-periodic force field. The complete…
Recent works on localized charge transport along DNA, based on a three--dimensional, tight--binding model (Eur. Phys. J. B 30:211, 2002; Phys. D 180:256, 2003), suggest that charge transport is mediated by the coupling of the radial and…
We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry…
We apply the quantum-defect theory for $-1/R^4$ potential to study the resonant charge exchange process. We show that by taking advantage of the partial-wave-insensitive nature of the formulation, resonant charge exchange of the type of…
We analyze the magnetic dipole contribution to atom-surface dispersion forces. Unlike its electrical counterpart, it involves small transition frequencies that are comparable to thermal energy scales. A significant temperature dependence is…
A formal derivation is presented of the energy transfer rate between radiation and matter due to the scattering of an isotropic distribution of resonant photons. The derivation is developed in the context of the two-level atom in the…
A new dispersion (asymptotic) theory is proposed for the peripheral sub- and above-barrier charged particle transfer $A(x,y)B$ reaction in the three-body ($A$, $a$ and $y$) model where $ x= y +a$ and $B=A+a$, and $ a$ is a transferred…
Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…
Diffusion may obliterate fluctuation signals of the QCD phase transition in nuclear collisions at SPS and RHIC energies. We propose a hyperbolic diffusion equation to study the dissipation of net charge fluctuations. This equation is needed…
The interaction between molecular (atomic) electron(s) and the vacuum field of a reflective cavity generates a significant interest thanks to the rapid developments in nanophotonics. Such interaction which lies within the realm of cavity…
We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following earlier work of Wu et al. Phys. Rev.…
Correlation-driven metal-insulator transitions and temperature-driven quantum-coherent-to-incoherent crossovers in correlated electron systems underpin the doping, temperature and frequency-resolved evolution of physical responses.…
We use a numerically exact real-time path integral Monte Carlo scheme to compute electron transfer dynamics between two redox sites within a spin-boson approach. The case of asymmetric reactions is studied in detail in the least understood…
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…