Related papers: Competition among molecular fragmentation channels…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
Wave scattering in chaotic systems with a uniform energy loss (absorption) is considered. Within the random matrix approach we calculate exactly the energy correlation functions of different matrix elements of impedance or scattering…
Supersymmetric (SUSY) transformations of the multi-channel Schr\"odinger equation with equal thresholds and arbitrary partial waves in all channels are studied. The structures of the transformation function and the superpotential are…
Scattering states with LEED asymptotics are calculated for a general non-muffin tin potential, as e.g. for a pseudopotential with a suitable barrier and image potential part. The latter applies especially to the case of low lying conduction…
Isologous diversification theory for cell differentiation is proposed, based on simulations of interacting cells with biochemical networks and cell division process following consumption of some chemicals. According to the simulations of…
Representation of molecular vibrational degrees of freedom by independent harmonic oscillators, when describing electronic spectra or electronic excitation energy transport, raises unfavourable effects as vibrational energy relaxation…
Effective field theory descriptions of surface waves on flowing fluids have tended to assume that the flow is irrotational, but this assumption is often impractical due to boundary layer friction and flow recirculation. Here we develop an…
We study the resonant divergences that occur in quantum scattering cross-sections in the presence of a strong external magnetic field. We demonstrate that all such divergences may be eliminated by introducing radiative corrections to the…
We introduce a new method to construct, within inverse-scattering theory, an energy-independent separable potential capable of reproducing exactly both phase shift and absorption over a predefined energy range. The approach relies on the…
Consider the linear Boltzmann equation of radiative transfer in a half-space, with constant scattering coefficient $\sigma$. Assume that, on the boundary of the half-space, the radiation intensity satisfies the Lambert (i.e. diffuse)…
Cell cortex contraction is essential for shaping cells, enabling movement, ensuring proper division, maintaining tissue integrity, guiding development, and responding to mechanical signals - all critical for the life and health of…
A new statistical model for the combined effects of decoherence, energy redistribution and dissipation on electron transport in large quantum systems is introduced. The essential idea is to consider the electron phase information to be lost…
An electron beam traversing a structured plasmonic field is shown to undergo diffraction with characteristic angular patterns of both elastic and inelastic outgoing electron components. In particular, a plasmonic {\it grating} (e.g., a…
Scattering hinders the passage of light through random media and consequently limits the usefulness of optical techniques for sensing and imaging. Thus, methods for increasing the transmission of light through such random media are of…
We suggest the numerical approach to detect eigenfrequencies of trapped modes in waveguides or guided waves in diffraction gratings. At the same time, the approach works perfectly for computation of systems with finitely many scattering…
We study a Hamiltonian system of type describing a charged particle resonant interaction with an electromagnetic wave. We consider an ensemble of particles that repeatedly pass through the resonance with the wave, and study evolution of the…
The diffusive transport of biased Brownian particles in a two-dimensional symmetric channel is investigated numerically considering both the no-flow and the reflection boundary conditions at the channel boundaries. Here, the geometrical…
We introduce a simple approach how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-reaction forces. We demonstrate that this self-consistently…
Modeling the propagation of light through disordered media is central to understanding and controlling wave transport in diverse optical and mesoscopic applications. Here, we present a random matrix simulation framework for modeling the…
With a generic lattice model for electrons occupying a semi-infinite crystal with a hard surface, we study the eigenstates of the system with a bulk band gap (or the gap with nodal points). The exact solution to the wave functions of…