On stable local bases for bivariate polynomial spline spaces

Stable locally supported bases are constructed for the spaces \cal S d r (\triangle) of polynomial splines of degree d≥ 3r+2 and smoothness r defined on triangulations \triangle , as well as for various superspline subspaces. In addition, we show that for r≥ 1 , in general, it is impossible to construct bases which are simultaneously stable and locally linearly independent

Directed current in the Holstein system

We propose a mechanism to rectify charge transport in the semiclassical Holstein model. It is shown that localised initial conditions, associated with a polaron solution, in conjunction with a nonreversion symmetric static electron on-site potential constitute minimal prerequisites for the emergence of a directed current in the underlying periodic lattice system. In particular, we demonstrate that for unbiased spatially localised initial conditions, violation of parity prevents the existence of pairs of counter-propagating trajectories, thus allowing for a directed current despite the time-reversibility of the equations of motion. Occurrence of long-range coherent charge transport is demonstrated

Bivariate spline interpolation with optimal approximation order

Let be a triangulation of some polygonal domain f c R2 and let S9 (A) denote the space of all bivariate polynomial splines of smoothness r and degree q with respect to A. We develop the first Hermite-type interpolation scheme for S9 (A), q >_ 3r + 2, whose approximation error is bounded above by Kh4+i, where h is the maximal diameter of the triangles in A, and the constant K only depends on the smallest angle of the triangulation and is independent of near-degenerate edges and nearsingular vertices. Moreover, the fundamental functions of our scheme are minimally supported and form a locally linearly independent basis for a superspline subspace of Sr, (A). This shows that the optimal approximation order can be achieved by using minimally supported splines. Our method of proof is completely different from the quasi-interpolation techniques for the study of the approximation power of bivariate splines developed in [71 and [181

Base pair opening and bubble transport in a DNA double helix induced by a protein molecule in a viscous medium

We study the nonlinear dynamics of a protein-DNA molecular system by treating DNA as a set of two coupled linear chains and protein in the form of a single linear chain sliding along the DNA at the physiological temperature in a viscous medium. The nonlinear dynamics of the above molecular system in general is governed by a perturbed nonlinear Schr\"{o}dinger equation. In the non-viscous limit, the equation reduces to the completely integrable nonlinear Schr\"{o}dinger (NLS) equation which admits N-soliton solutions. The soliton excitations of the DNA bases make localized base pair opening and travel along the DNA chain in the form of a bubble. This may represent the bubble generated during the transcription process when an RNA-polymerase binds to a promoter site in the DNA double helical chain. The perturbed NLS equation is solved using a perturbation theory by treating the viscous effect due to surrounding as a weak perturbation and the results show that the viscosity of the solvent in the surrounding damps out the amplitude of the soliton.Comment: 4. Submitted to Phys. Rev.

Influence of the sign of the coupling on the temperature dependence of optical properties of one-dimensional exciton models

A new physical cause for a temperature-dependent double peak in exciton systems is put forward within a thermal equilibrium approach for the calculation of optical properties of exciton systems. Indeed, it is found that one-dimensional exciton systems with only one molecule per unit cell can have an absorption spectrum characterized by a double peak provided that the coupling between excitations in different molecules is positive. The two peaks, whose relative intensities vary with temperature, are located around the exciton band edges, being separated by an energy of approximately 4V, where V is the average coupling between nearest neighbours. For small amounts of diagonal and off-diagonal disorder, the contributions from the intermediate states in the band are also visible as intermediate structure between the two peaks, this being enhanced for systems with periodic boundary conditions. At a qualitative level, these results correlate well with experimental observations in the molecular aggregates of the thiacarbocyanine dye THIATS and in the organic crystals of acetanilide and N-methylacetamide

A Variational Approach to Nonlocal Exciton-Phonon Coupling

In this paper we apply variational energy band theory to a form of the Holstein Hamiltonian in which the influence of lattice vibrations (optical phonons) on both local site energies (local coupling) and transfers of electronic excitations between neighboring sites (nonlocal coupling) is taken into account. A flexible spanning set of orthonormal eigenfunctions of the joint exciton-phonon crystal momentum is used to arrive at a variational estimate (bound) of the ground state energy for every value of the joint crystal momentum, yielding a variational estimate of the lowest polaron energy band across the entire Brillouin zone, as well as the complete set of polaron Bloch functions associated with this band. The variation is implemented numerically, avoiding restrictive assumptions that have limited the scope of previous assaults on the same and similar problems. Polaron energy bands and the structure of the associated Bloch states are studied at general points in the three-dimensional parameter space of the model Hamiltonian (electronic tunneling, local coupling, nonlocal coupling), though our principal emphasis lay in under-studied area of nonlocal coupling and its interplay with electronic tunneling; a phase diagram summarizing the latter is presented. The common notion of a "self-trapping transition" is addressed and generalized.Comment: 33 pages, 11 figure

Anomalous tunneling of bound pairs in crystal lattices

A novel method of solving scattering problems for bound pairs on a lattice is developed. Two different break ups of the hamiltonian are employed to calculate the full Green operator and the wave function of the scattered pair. The calculation converges exponentially in the number of basis states used to represent the non-translation invariant part of the Green operator. The method is general and applicable to a variety of scattering and tunneling problems. As the first application, the problem of pair tunneling through a weak link on a one-dimensional lattice is solved. It is found that at momenta close to \pi the pair tunnels much easier than one particle, with the transmission coefficient approaching unity. This anomalously high transmission is a consequence of the existence of a two-body resonant state localized at the weak link.Comment: REVTeX, 5 pages, 4 eps figure

Strong exciton-plasmon coupling in semiconducting carbon nanotubes

We study theoretically the interactions of excitonic states with surface electromagnetic modes of small-diameter (~1 nm) semiconducting single-walled carbon nanotubes. We show that these interactions can result in strong exciton-surface-plasmon coupling. The exciton absorption line shape exhibits Rabi splitting ~0.1 eV as the exciton energy is tuned to the nearest interband surface plasmon resonance of the nanotube. We also show that the quantum confined Stark effect may be used as a tool to control the exciton binding energy and the nanotube band gap in carbon nanotubes in order, e.g., to bring the exciton total energy in resonance with the nearest interband plasmon mode. The exciton-plasmon Rabi splitting we predict here for an individual carbon nanotube is close in its magnitude to that previously reported for hybrid plasmonic nanostructures artificially fabricated of organic semiconductors on metallic films. We expect this effect to open up paths to new tunable optoelectronic device applications of semiconducting carbon nanotubes.Comment: 22 pages, 8 figures, accepted for PR

Stability of C20 fullerene chains

The stability of (C20)N chains with N = 3 - 7 is analyzed by numerical simulation using a tight-binding potential and molecular dynamics. Various channels of losing the cluster-chain structure of the (C20)N complexes are observed, including the decay of C20 clusters, their coalescence, and the separation of one C20 fullerene from the chain.Comment: To appear in JETP Letter