358 research outputs found

    The J- and H-bands of dye aggregate spectra: Analysis of the coherent exciton scattering (CES) approximation

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    The validity of the CES approximation is investigated by comparison with direct diagonalisation of a model vibronic Hamiltonian of NN identical monomers interacting electronically. Even for quite short aggregates (N\gtrsim 6) the CES approximation is shown to give results in agreement with direct diagonalisation, for all coupling strengths, except that of intermediate positive coupling (the H-band region). However, previously excellent agreement of CES calculations and measured spectra in the H-band region was obtained [A. Eisfeld, J. S. Briggs, Chem. Phys. 324, 376]. This is shown to arise from use of the measured monomer spectrum which includes implicitly dissipative effects not present in the model calculation

    Search for long-lived states in antiprotonic lithium

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    The spectrum of the (L_i^3 + p-bar + 2e) four-body system was calculated in an adiabatic approach. The two-electron energies were approximated by a sum of two single-electron effective charge two-center energies as suggested in [6]. While the structure of the spectrum does not exclude the existence of long-lived states, their experimental observability is still to be clarified

    (e,3e) on helium at low impact energy: the strongly correlated three-electron continuum

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    Double ionization of the helium atom by slow electron impact (E0=106  eV) is studied in a kinematically complete experiment. Because of a low excess energy Eexc=27  eV above the double ionization threshold, a strongly correlated three-electron continuum is realized. This is demonstrated by measuring and calculating the fully differential cross sections for equal energy sharing of the final-state electrons. While the electron emission is dominated by a strong Coulomb repulsion, also signatures of more complex dynamics of the full four-body system are identified

    Collective multipole expansions and the perturbation theory in the quantum three-body problem

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    The perturbation theory with respect to the potential energy of three particles is considered. The first-order correction to the continuum wave function of three free particles is derived. It is shown that the use of the collective multipole expansion of the free three-body Green function over the set of Wigner DD-functions can reduce the dimensionality of perturbative matrix elements from twelve to six. The explicit expressions for the coefficients of the collective multipole expansion of the free Green function are derived. It is found that the SS-wave multipole coefficient depends only upon three variables instead of six as higher multipoles do. The possible applications of the developed theory to the three-body molecular break-up processes are discussed.Comment: 20 pages, 2 figure

    Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

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    We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including the first fully three-dimensional electronic band structures calculated by the method.Comment: replacement: single spaced, included figures, added journal referenc

    Majorana solutions to the two-electron problem

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    A review of the known different methods and results devised to study the two-electron atom problem, appeared in the early years of quantum mechanics, is given, with particular reference to the calculations of the ground state energy of helium. This is supplemented by several, unpublished results obtained around the same years by Ettore Majorana, which results did not convey in his published papers on the argument, and thus remained unknown until now. Particularly interesting, even for current research in atomic and nuclear physics, is a general variant of the variational method, developed by Majorana in order to take directly into account, already in the trial wavefunction, the action of the full Hamiltonian operator of a given quantum system. Moreover, notable calculations specialized to the study of the two-electron problem show the introduction of the remarkable concept of an effective nuclear charge different for the two electrons (thus generalizing previous known results), and an application of the perturbative method, where the atomic number Z was treated effectively as a continuous variable, contributions to the ground state energy of an atom with given Z coming also from any other Z. Instead, contributions relevant mainly for pedagogical reasons count simple broad range estimates of the helium ionization potential, obtained by suitable choices for the wavefunction, as well as a simple alternative to Hylleraas' method, which led Majorana to first order calculations comparable in accuracy with well-known order 11 results derived, in turn, by Hylleraas.Comment: amsart, 20 pages, no figure

    United classification of cosmic gamma-ray bursts and their counterparts

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    United classification of gamma-ray bursts and their counterparts is established on the basis of measured characteristics: photon energy E and emission duration T. The founded interrelation between the mentioned characteristics of events consists in that, as the energy increases, the duration decreases (and vice versa). The given interrelation reflects the nature of the phenomenon and forms the E-T diagram, which represents a natural classification of all observed events in the energy range from 10E9 to 10E-6 eV and in the corresponding interval of durations from about 10E-2 up to 10E8 s. The proposed classification results in the consequences, which are principal for the theory and practical study of the phenomenon.Comment: Keywords Gamma rays: burst

    Experimental observation of open structures in elemental magnesium at terapascal pressures

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    Investigating how solid matter behaves at enormous pressures, such as those found in the deep interiors of giant planets, is a great experimental challenge. Over the past decade, computational predictions have revealed that compression to terapascal pressures may bring about counter-intuitive changes in the structure and bonding of solids as quantum mechanical forces grow in influence1,2,3,4,5,6. Although this behaviour has been observed at modest pressures in the highly compressible light alkali metals7,8, it has not been established whether it is commonplace among high-pressure solids more broadly. We used shaped laser pulses at the National Ignition Facility to compress elemental Mg up to 1.3 TPa, which is approximately four times the pressure at the Earth’s core. By directly probing the crystal structure using nanosecond-duration X-ray diffraction, we found that Mg changes its crystal structure several times with non-close-packed phases emerging at the highest pressures. Our results demonstrate that phase transformations of extremely condensed matter, previously only accessible through theoretical calculations, can now be experimentally explored

    International Classification of Reliability for Implanted Cochlear Implant Receiver Stimulators

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    To design an international standard to be used when reporting reliability of the implanted components of cochlear implant systems to appropriate governmental authorities, cochlear implant (CI) centers, and for journal editors in evaluating manuscripts involving cochlear implant reliability
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