23,211 research outputs found

    Continuum variational and diffusion quantum Monte Carlo calculations

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    This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave functions and are capable of achieving very high accuracy. The algorithms are intrinsically parallel and well-suited to petascale computers, and the computational cost scales as a polynomial of the number of particles. A guide to the systems and topics which have been investigated using these methods is given. The bulk of the article is devoted to an overview of the basic quantum Monte Carlo methods, the forms and optimisation of wave functions, performing calculations within periodic boundary conditions, using pseudopotentials, excited-state calculations, sources of calculational inaccuracy, and calculating energy differences and forces

    Steady-state signatures of radiation trapping by cold multilevel atoms

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    In this paper, we use steady-state measurements to obtain evidence of radiation trapping in an optically thick a cloud of cold rubidium atoms. We investigate the fluorescence properties of our sample, pumped on opened transitions. The intensity of fluorescence exhibits a non trivial dependence on the optical thickness of the media. A simplified model, based on rate equations self-consistently coupled to a diffusive model of light transport, is used to explain the experimental observations in terms of incoherent radiation trapping on one spectral line. Measurements of atomic populations and fluorescence spectrum qualitatively agree with this interpretation.Comment: 8 pages, 5 figure

    Experimental and theoretical studies of sequence effects on the fluctuation and melting of short DNA molecules

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    Understanding the melting of short DNA sequences probes DNA at the scale of the genetic code and raises questions which are very different from those posed by very long sequences, which have been extensively studied. We investigate this problem by combining experiments and theory. A new experimental method allows us to make a mapping of the opening of the guanines along the sequence as a function of temperature. The results indicate that non-local effects may be important in DNA because an AT-rich region is able to influence the opening of a base pair which is about 10 base pairs away. An earlier mesoscopic model of DNA is modified to correctly describe the time scales associated to the opening of individual base pairs well below melting, and to properly take into account the sequence. Using this model to analyze some characteristic sequences for which detailed experimental data on the melting is available [Montrichok et al. 2003 Europhys. Lett. {\bf 62} 452], we show that we have to introduce non-local effects of AT-rich regions to get acceptable results. This brings a second indication that the influence of these highly fluctuating regions of DNA on their neighborhood can extend to some distance.Comment: To be published in J. Phys. Condensed Matte
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