Tetrahedratic mesophases, chiral order, and helical domains induced by quadrupolar and octupolar interactions

We present an exhaustive account of phases and phase transitions that can be stabilized in the recently introduced generalized Lebwohl-Lasher model with quadrupolar and octupolar microscopic interactions [ L. Longa, G. Pająk and T. Wydro Phys. Rev. E 79 040701 (2009)]. A complete mean-field analysis of the model, along with Monte Carlo simulations allows us to identify four distinct classes of the phase diagrams with a number of multicritical points where, in addition to the standard uniaxial and biaxial nematic phases, the other nematic like phases are stabilized. These involve, among the others, tetrahedratic (T), nematic tetrahedratic (NT), and chiral nematic tetrahedratic (NT*) phases of global Td, D2d, and D2 symmetry, respectively. Molecular order parameters and correlation functions in these phases are determined. We conclude with generalizations of the model that give a simple molecular interpretation of macroscopic regions with opposite optical activity (ambidextrous chirality), observed, e.g., in bent-core systems. An estimate of the helical pitch in the NT* phase is also given

Contextuality in Measurement-based Quantum Computation

We show, under natural assumptions for qubit systems, that measurement-based quantum computations (MBQCs) which compute a non-linear Boolean function with high probability are contextual. The class of contextual MBQCs includes an example which is of practical interest and has a super-polynomial speedup over the best known classical algorithm, namely the quantum algorithm that solves the Discrete Log problem.Comment: Version 3: probabilistic version of Theorem 1 adde

From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia

The ammonia dimer (NH3)2 has been investigated using high--level ab initio quantum chemistry methods and density functional theory (DFT). The structure and energetics of important isomers is obtained to unprecedented accuracy without resorting to experiment. The global minimum of eclipsed C_s symmetry is characterized by a significantly bent hydrogen bond which deviates from linearity by about 20 degrees. In addition, the so-called cyclic C_{2h} structure is extremely close in energy on an overall flat potential energy surface. It is demonstrated that none of the currently available (GGA, meta--GGA, and hybrid) density functionals satisfactorily describe the structure and relative energies of this nonlinear hydrogen bond. We present a novel density functional, HCTH/407+, designed to describe this sort of hydrogen bond quantitatively on the level of the dimer, contrary to e.g. the widely used BLYP functional. This improved functional is employed in Car-Parrinello ab initio molecular dynamics simulations of liquid ammonia to judge its performance in describing the associated liquid. Both the HCTH/407+ and BLYP functionals describe the properties of the liquid well as judged by analysis of radial distribution functions, hydrogen bonding structure and dynamics, translational diffusion, and orientational relaxation processes. It is demonstrated that the solvation shell of the ammonia molecule in the liquid phase is dominated by steric packing effects and not so much by directional hydrogen bonding interactions. In addition, the propensity of ammonia molecules to form bifurcated and multifurcated hydrogen bonds in the liquid phase is found to be negligibly small.Comment: Journal of Chemical Physics, in press (305335JCP

Quantum algorithms for highly non-linear Boolean functions

Attempts to separate the power of classical and quantum models of computation have a long history. The ultimate goal is to find exponential separations for computational problems. However, such separations do not come a dime a dozen: while there were some early successes in the form of hidden subgroup problems for abelian groups--which generalize Shor's factoring algorithm perhaps most faithfully--only for a handful of non-abelian groups efficient quantum algorithms were found. Recently, problems have gotten increased attention that seek to identify hidden sub-structures of other combinatorial and algebraic objects besides groups. In this paper we provide new examples for exponential separations by considering hidden shift problems that are defined for several classes of highly non-linear Boolean functions. These so-called bent functions arise in cryptography, where their property of having perfectly flat Fourier spectra on the Boolean hypercube gives them resilience against certain types of attack. We present new quantum algorithms that solve the hidden shift problems for several well-known classes of bent functions in polynomial time and with a constant number of queries, while the classical query complexity is shown to be exponential. Our approach uses a technique that exploits the duality between bent functions and their Fourier transforms.Comment: 15 pages, 1 figure, to appear in Proceedings of the 21st Annual ACM-SIAM Symposium on Discrete Algorithms (SODA'10). This updated version of the paper contains a new exponential separation between classical and quantum query complexit

Magnetic-field asymmetry of electron wave packet transmission in bent channels capacitively coupled to a metal gate

We study the electron wave packet moving through a bent channel. We demonstrate that the packet transmission probability becomes an uneven function of the magnetic field when the electron packet is capacitively coupled to a metal plate. The coupling occurs through a non-linear potential which translates a different kinetics of the transport for opposite magnetic field orientations into a different potential felt by the scattered electron

On the normality of pp-ary bent functions

Depending on the parity of $n$ and the regularity of a bent function $f$ from $\mathbb F_p^n$ to $\mathbb F_p$, $f$ can be affine on a subspace of dimension at most $n/2$, $(n-1)/2$ or $n/2- 1$. We point out that many $p$-ary bent functions take on this bound, and it seems not easy to find examples for which one can show a different behaviour. This resembles the situation for Boolean bent functions of which many are (weakly) $n/2$-normal, i.e. affine on a $n/2$-dimensional subspace. However applying an algorithm by Canteaut et.al., some Boolean bent functions were shown to be not $n/2$- normal. We develop an algorithm for testing normality for functions from $\mathbb F_p^n$ to $\mathbb F_p$. Applying the algorithm, for some bent functions in small dimension we show that they do not take on the bound on normality. Applying direct sum of functions this yields bent functions with this property in infinitely many dimensions.Comment: 13 page

Spatially resolved stress measurements in materials with polarization-sensitive optical coherence tomography: image acquisition and processing aspects

We demonstrate that polarization-sensitive optical coherence tomography (PS-OCT) is suitable to map the stress distribution within materials in a contactless and non-destructive way. In contrast to transmission photoelasticity measurements the samples do not have to be transparent but can be of scattering nature. Denoising and analysis of fringe patterns in single PS-OCT retardation images are demonstrated to deliver the basis for a quantitative whole-field evaluation of the internal stress state of samples under investigation.Comment: 10 pages, 6 figures; Copyright: Blackwell Publishing Ltd 2008; The definitive version is available at: www.blackwell-synergy.co