36,085 research outputs found

    An Accelerated Multiboson Algorithm for Coulomb Gases with Dynamical Dielectric Effects

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    A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a spatial lattice by including additional bosonic fields. For large systems, the Monte Carlo algorithm proposed in Ref. [1] becomes inefficient due to a low acceptance rate for particle moves in a fixed background multiboson field. We show here how this problem can be circumvented by use of a coupled particle-multiboson update procedure that improves acceptance rates on large lattices by orders of magnitude. The method is tested on a one-component plasma with neutral dielectric particles for a variety of system sizes.Comment: 13 pages, 2 figures, fixed typos, added reference

    Non-uniform convergence of two-photon decay rates for excited atomic states

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    Two-photon decay rates in simple atoms such as hydrogenlike systems represent rather interesting fundamental problems in atomic physics. The sum of the energies of the two emitted photons has to fulfill an energy conservation condition, the decay takes place via intermediate virtual states, and the total decay rate is obtained after an integration over the energy of one of the emitted photons. Here, we investigate cases with a virtual state having an energy intermediate between the initial and the final state of the decay process, and we show that due to non-uniform convergence, only a careful treatment of the singularities infinitesimally displaced from the photon integration contour leads to consistent and convergent results.Comment: 3 pages; LaTe

    Two-dimensional structure in a generic model of triangular proteins and protein trimers

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    Motivated by the diversity and complexity of two-dimensional crystals formed by triangular proteins and protein trimers, we have investigated the structures and phase behavior of hard-disk trimers. In order to mimic specific binding interactions, each trimer possesses on `attractive' disk which can interact with similar disks on other trimers via an attractive square-well potential. At low density and low temperature, the fluid phase mainly consists of tetramers, pentamers, or hexamers. Hexamers provide the structural motif for a high-density, low-temperature periodic solid phase, but we also identify a metastable periodic structure based on a tetramer motif. At high density there is a transition between orientationally ordered and disordered solid phases. The connections between simulated structures and those of 2D protein crystals -- as seen in electron microscopy -- are briefly discussed.Comment: 7 pages, 6 figure

    Local Simulation Algorithms for Coulomb Gases with Dynamical Dielectric Effects

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    We discuss the application of the local lattice technique of Maggs and Rossetto to problems that involve the motion of objects with different dielectric constants than the background. In these systems the simulation method produces a spurious interaction force which causes the particles to move in an unphysical manner. We show that this term can be removed using a variant of a method known from high-energy physics simulations, the multiboson method, and demonstrate the effectiveness of this corrective method on a system of neutral particles. We then apply our method to a one-component plasma to show the effect of the spurious interaction term on a charged system.Comment: 13 pages, 4 figure
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