A fast, low memory cost, Krylov-space-based algorithm is proposed for the diagonalization of large Hamiltonian matrices required in time-dependent Hartree-Fock ͑TDHF͒ and adiabatic time-dependent density-functional theory ͑TDDFT͒ computations of electronic excitations. A deflection procedure based on the symplectic structure of the TDHF equations is introduced and its capability to find higher eigenmodes of the linearized TDHF operator for a given numerical accuracy is demonstrated. The algorithm may be immediately applied to the formally-identical adiabatic TDDFT equations.

The variation of the nonlinear optical electronic polarizabilities of eight families of organic oligomers with molecular chain length is investigated using the coupled electronic oscillator (CEO) approach. Comparison of the saturation curves with contour plots of the first- and third-order density-matrix response shows a strong correlation between the magnitude of the saturation size, L s, and the antidiagonal size of the density matrix, L ρ, which constitutes a characteristic exciton size responsible for optical coherence. For the majority of oligomers investigated, L s is linearly related to L ρ.

Robustness and dissipation of mitogen-activated protein kinases signal transduction network: Underlying funneled landscape against stochastic fluctuations Microscopic correlation-function expressions for the stochastic evolution observed in single molecule spectroscopy are derived using Liouville-space projection operators. The kinetics of a multilevel quantum system coupled to a single collective overdamped Brownian-oscillator coordinate is exactly mapped onto a continuous-time-random-walk ͑CTRW͒ involving the transition states͑curve-crossing points͒. Closed expressions are derived for the stochastic trajectories and the nonPoissonian distribution of number of flips. When the oscillator relaxation is fast compared with the reaction rates, the waiting time distribution becomes exponential and the standard Poisson kinetics is recovered.

-The number of interoperable research infrastructures has increased significantly with the growing awareness of the efforts made by the Global Earth Observation System of Systems (GEOSS). One of the societal benefit areas that is benefiting most from GEOSS is biodiversity, given the costs of monitoring the environment and managing complex information, from space observations to species records including their genetic characteristics. But GEOSS goes beyond simple data sharing to encourage the publishing and combination of models, an approach which can ease the handling of complex multi-disciplinary questions. It is the purpose of this paper to illustrate these concepts by presenting eHabitat, a basic Web Processing Service (WPS) for computing the likelihood of finding ecosystems with equal properties to those specified by a user. Despite the availability of the agreed WPS standard for Web-based geospatial modeling, few practical implementations exist, making eHabitat a significant addition to the field. On the other hand, the wide uptake of Web access standards for geospatial data has led to a wealth of data sources within GEOSS which can be effectively combined using eHabitat. When chained with other services providing data on climate change, eHabitat can be used for ecological forecasting and becomes a useful tool for decision-makers assessing different strategies when selecting new areas to protect. eHabitat can use virtually any kind of thematic data that can be considered as useful when defining ecosystems and their future persistence under different climatic or development scenarios. The paper will present the architecture and illustrate the concepts through case studies which forecast the impact of climate change on protected areas or on the ecological niche of an African bird.

Statistical physics and economics : concepts, tools, and applications I Michael Schulz. p. ern. -(Springer tracts in modern physics ; 184) Includes bibliographical references and index.