23,664 research outputs found

    A combined R-matrix eigenstate basis set and finite-differences propagation method for the time-dependent Schr\"{od}dinger equation: the one-electron case

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    In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's coordinates separated over two regions, that is regions II and IIII. In region II the solution of the TDSE is obtained by an R-matrix basis set representation of the time-dependent wavefunction. In region IIII a grid representation of the wavefunction is considered and propagation in space and time is obtained through the finite-differences method. It appears this is the first time a combination of basis set and grid methods has been put forward for tackling multi-region time-dependent problems. In both regions, a high-order explicit scheme is employed for the time propagation. While, in a purely hydrogenic system no approximation is involved due to this separation, in multi-electron systems the validity and the usefulness of the present method relies on the basic assumption of R-matrix theory, namely that beyond a certain distance (encompassing region II) a single ejected electron is distinguishable from the other electrons of the multi-electron system and evolves there (region II) effectively as a one-electron system. The method is developed in detail for single active electron systems and applied to the exemplar case of the hydrogen atom in an intense laser field.Comment: 13 pages, 6 figures, submitte

    Half-Life of 14^{14}O

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    We have measured the half-life of 14^{14}O, a superallowed (0+→0+)(0^{+} \to 0^{+}) β\beta decay isotope. The 14^{14}O was produced by the 12^{12}C(3^{3}He,n)14^{14}O reaction using a carbon aerogel target. A low-energy ion beam of 14^{14}O was mass separated and implanted in a thin beryllium foil. The beta particles were counted with plastic scintillator detectors. We find t1/2=70.696±0.052t_{1/2} = 70.696\pm 0.052 s. This result is 1.5σ1.5\sigma higher than an average value from six earlier experiments, but agrees more closely with the most recent previous measurement.Comment: 10 pages, 5 figure

    Isolation of 39 polymorphic microsatellite loci and the development of a fluorescently labelled marker set for the Eurasian badger

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    We have isolated 78 microsatellite loci from the Eurasian badger (Meles meles). Of the 52 loci characterized, 39 were found to be polymorphic. A fluorescently labelled primer set was developed to enable individual-specific 17-locus genotypes to be obtained efficiently

    Ejaculate allocation by male sand martins, Riparia riparia

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    Males of many species allocate sperm to ejaculates strategically in response to variation in the risk and intensity of sperm competition. The notable exception is passerine birds, in which evidence for strategic allocation is absent. Here we report the results of a study testing for strategic ejaculate allocation in a passerine bird, the sand martin (Riparia riparia). Natural ejaculates were collected from males copulating with a model female. Ejaculates transferred in the presence of a rival male contained significantly more sperm than ejaculates transferred in the absence of a rival male. There was no evidence that this difference was due to the confounding effects of the year of ejaculate collection, the identity of the model female, the colony, the stage of season or the period of the day in which ejaculates were collected. A more detailed examination of the ejaculate patterns of individual males, achieved by the DNA profiling of ejaculates, provided additional evidence for strategic allocation of sperm

    On the density-potential mapping in time-dependent density functional theory

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    The key questions of uniqueness and existence in time-dependent density functional theory are usually formulated only for potentials and densities that are analytic in time. Simple examples, standard in quantum mechanics, lead however to non-analyticities. We reformulate these questions in terms of a non-linear Schr\"odinger equation with a potential that depends non-locally on the wavefunction.Comment: 8 pages, 2 figure

    Analysis of band-gap formation in squashed arm-chair CNT

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    The electronic properties of squashed arm-chair carbon nanotubes are modeled using constraint free density functional tight binding molecular dynamics simulations. Independent from CNT diameter, squashing path can be divided into {\it three} regimes. In the first regime, the nanotube deforms with negligible force. In the second one, there is significantly more resistance to squashing with the force being ∼40−100\sim 40-100 nN/per CNT unit cell. In the last regime, the CNT looses its hexagonal structure resulting in force drop-off followed by substantial force enhancement upon squashing. We compute the change in band-gap as a function of squashing and our main results are: (i) A band-gap initially opens due to interaction between atoms at the top and bottom sides of CNT. The π−\pi-orbital approximation is successful in modeling the band-gap opening at this stage. (ii) In the second regime of squashing, large π−σ\pi-\sigma interaction at the edges becomes important, which can lead to band-gap oscillation. (iii) Contrary to a common perception, nanotubes with broken mirror symmetry can have {\it zero} band-gap. (iv) All armchair nanotubes become metallic in the third regime of squashing. Finally, we discuss both differences and similarities obtained from the tight binding and density functional approaches.Comment: 16 pages and 6 figures, To appear in PR
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