Defect-induced effects on carrier migration through one-dimensional poly(para-phenylenevinylene) chains

Defects in one-dimensional (1D) systems can be intrinsically distinct from its three-dimensional counterparts, and polymer films are good candidates for showing both extremes that are difficult to individuate in the experimental data. We study theoretically the impact of simple hydrogen and oxygen defects on the electron transport properties of one-dimensional poly(para-phenylenevinylene) chains through a multiscale technique, starting from classical structural simulations for crystalline films to extensive ab initio calculations within density functional theory for the defects in single crystalline-constrained chains. The most disruptive effect on carrier transport comes from conjugation breaking imposed by the overcoordination of a carbon atom in the vinyl group independently from the chemical nature of the defect. The particular case of the [C=O] (keto-defect) shows in addition unexpected electron-hole separation, suggesting that the experimentally detected photoluminescence bleaching and photoconductivity enhancement could be due to exciton dissociation caused by the 1D characteristics of the defect.

Fock space for fermion-like lattices and the linear Glauber model

The concept of Fock space representation is developed to deal with stochastic spin lattices written in terms of fermion operators. A density operator is introduced in order to follow in parallel the developments of the case of bosons in the literature. Some general conceptual quantities for spin lattices are then derived, including the notion of generating function and path integral via Grassmann variables. The formalism is used to derive the Liouvillian of the d-dimensional Linear Glauber dynamics in the Fock-space representation. Then the time evolution equations for the magnetization and the two-point correlation function are derived in terms of the number operator. (C) 2008 Elsevier B.V. All rights reserved.

Lie algebra methods for the applications to the statistical theory of turbulence

Approximate Lie symmetries of the Navier-Stokes equations are used for the applications to scaling phenomenon arising in turbulence. In particular, we show that the Lie symmetries of the Euler equations are inherited by the Navier-Stokes equations in the form of approximate symmetries that allows to involve the Reynolds number dependence into scaling laws. Moreover, the optimal systems of all finite-dimensional Lie subalgebras of the approximate symmetry transformations of the Navier-Stokes are constructed. We show how the scaling groups obtained can be used to introduce the Reynolds number dependence into scaling laws explicitly for stationary parallel turbulent shear flows. This is demonstrated in the framework of a new approach to derive scaling laws based on symmetry analysis [11]-[13].

One-loop energy-momentum tensor in QED with electriclike background

We have obtained nonperturbative one-loop expressions for the mean-energy-momentum tensor and current density of Dirac's field on a constant electriclike back-round. One of the goals of this calculation is to give a consistent description of backreaction in such a theory. Two cases of initial states are considered: the vacuum state and the thermal equilibrium state. First, we perform calculations for the vacuum initial state. In the obtained expressions, we separate the contributions due to particle creation and vacuum polarization. The latter contribution,, are related to the Heisenberg-Euler Lagrangian. Then, we Study the case of the thermal initial state. Here, we separate the contributions due to particle creation, vacuum polarization, and the contributions due to the work of the external field on the particles at the initial state. All these contributions are studied in detail, in different regimes of weak and strong fields and low and high temperatures. The obtained results allow us to establish restrictions on the electric field and its duration under which QED with a strong constant electric field is consistent. Under such restrictions, one can neglect the backreaction of particles created by the electric field. Some of the obtained results generalize the calculations of Heisenberg-Euler for energy density to the case of arbitrary strong electric fields.

Spin gaps and spin-flip energies in density-functional theory

Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation between these gaps and derivative discontinuities of the exchange-correlation functional, much less is known about spin gaps. In this paper we give density-functional definitions of spin-conserving gaps, spin-flip gaps and the spin stiffness in terms of many-body energies and in terms of single-particle (Kohn-Sham) energies. Our definitions are as analogous as possible to those commonly made in the charge case, but important differences between spin and charge gaps emerge already on the single-particle level because unlike the fundamental charge gap spin gaps involve excited-state energies. Kohn-Sham and many-body spin gaps are predicted to differ, and the difference is related to derivative discontinuities that are similar to, but distinct from, those usually considered in the case of charge gaps. Both ensemble DFT and time-dependent DFT (TDDFT) can be used to calculate these spin discontinuities from a suitable functional. We illustrate our findings by evaluating our definitions for the Lithium atom, for which we calculate spin gaps and spin discontinuities by making use of near-exact Kohn-Sham eigenvalues and, independently, from the single-pole approximation to TDDFT. The many-body corrections to the Kohn-Sham spin gaps are found to be negative, i.e., single-particle calculations tend to overestimate spin gaps while they underestimate charge gaps.

INTEGRABLE MODULES FOR AFFINE LIE SUPERALGEBRAS

Irreducible nonzero level modules with finite-dimensional weight spaces are discussed for nontwisted affine Lie superalgebras. A complete classification of such modules is obtained for superalgebras of type A(m, n)(boolean AND) and C(n)(boolean AND) using Mathieu's classification of cuspidal modules over simple Lie algebras. In other cases the classification problem is reduced to the classification of cuspidal modules over finite-dimensional cuspidal Lie superalgebras described by Dimitrov, Mathieu and Penkov. Based on these results a. complete classification of irreducible integrable (in the sense of Kac and Wakimoto) modules is obtained by showing that any such module is of highest weight, in which case the problem was solved by Kac and Wakimoto.

Induced Modules for Affine Lie Algebras

We study induced modules of nonzero central charge with arbitrary multiplicities over affine Lie algebras. For a given pseudo parabolic subalgebra P of an affine Lie algebra G, our main result establishes the equivalence between a certain category of P-induced G-modules and the category of weight P-modules with injective action of the central element of G. In particular, the induction functor preserves irreducible modules. If P is a parabolic subalgebra with a finite-dimensional Levi factor then it defines a unique pseudo parabolic subalgebra P(ps), P subset of P(ps). The structure of P-induced modules in this case is fully determined by the structure of P(ps)-induced modules. These results generalize similar reductions in particular cases previously considered by V. Futorny, S. Konig, V. Mazorchuk [Forum Math. 13 (2001), 641-661], B. Cox [Pacific J. Math. 165 (1994), 269-294] and I. Dimitrov, V. Futorny, I. Penkov [Comm. Math. Phys. 250 (2004), 47-63].

Flatness-based control of a single qubit gate

This work considers the open-loop control problem of steering a two-level quantum system from any initial to any final condition. The model of this system evolves on the state space X = SU(2), having two inputs that correspond to the complex amplitude of a resonant laser field. A symmetry preserving flat output is constructed using a fully geometric construction and quaternion computations. Simulation results of this flatness-based open-loop control are provided.

Irreducible morphisms of categories of complexes

We study irreducible morphisms of complexes. In particular, we show that the irreducible morphisms having one (finite) irreducible submorphism fall into three canonical forms and we give necessary and sufficient conditions for a given morphism of that type to be irreducible. Our characterization of the above mentioned type of irreducible morphisms of complexes characterizes also some class of irreducible morphisms of the derived category D(-)(A) for A a finite dimensional k-algebra, where k is a field. (C) 2009 Published by Elsevier Inc.

Hyperbolicity of semigroup algebras

Let A be a finite-dimensional Q-algebra and Gamma subset of A a Z-order. We classify those A with the property that Z(2) negated right arrow U(Gamma) and refer to this as the hyperbolic property. We apply this in case A = K S is a semigroup algebra, with K = Q or K = Q(root-d). A complete classification is given when KS is semi-simple and also when S is a non-semi-simple semigroup. (c) 2008 Elsevier Inc. All rights reserved.

On moduli spaces for abelian categories

We show that if A is an abelian category satisfying certain mild conditions, then one can introduce the concept of a moduli space of (semi)stable objects which has the structure of a projective algebraic variety. This idea is applied to several important abelian categories in representation theory, like highest weight categories.

Tilt-critical algebras of tame type

Let A be a finite dimensional k-algebra over an algebraically closed field. Assume A=kQ/I where Q is a quiver without oriented cycles. We say that A is tilt-critical if it is not tilted but every proper convex subcategory of A is tilted. We describe the tilt-critical algebras which are strongly simply connected and tame.

The bar-radical of a class of almost alternative baric algebras

In this article we prove that, if (U, ) is a finite dimensional baric algebra of (gamma, delta) type over a field F of characteristic not equal 2,3,5 such that gamma(2) - delta(2) + delta = 1 and 0,1, then rad(U) = R(U)boolean AND(bar(U))(2), where R(U) is the nilradical (maximal nil ideal) of U.

Filtered Multiplicative Bases of Restricted Enveloping Algebras

We study the problem of the existence of filtered multiplicative bases of a restricted enveloping algebra u(L), where L is a finite-dimensional and p-nilpotent restricted Lie algebra over a field of positive characteristic p.

Representation type of Jordan algebras

The problem of classification of Jordan bit-nodules over (non-semisimple) finite dimensional Jordan algebras with respect to their representation type is considered. The notions of diagram of a Jordan algebra and of Jordan tensor algebra of a bimodule are introduced and a mapping Qui is constructed which associates to the diagram of a Jordan algebra J the quiver of its universal associative enveloping algebra S(J). The main results are concerned with Jordan algebras of semi-matrix type, that is, algebras whose semi-simple component is a direct sum of Jordan matrix algebras. In this case, criterion of finiteness and tameness for one-sided representations are obtained, in terms of diagram and mapping Qui, for Jordan tensor algebras and for algebras with radical square equals to 0. (c) 2010 Elsevier Inc. All rights reserved.