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Sökning: WFRF:(Luppi Eleonora)

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1.
  • Burke, Stephen, et al. (författare)
  • HEP Applications and Their Experience with the Use of DataGrid Middleware
  • 2004
  • Ingår i: Journal of Grid Computing. - : Springer Science and Business Media LLC. - 1572-9184 .- 1570-7873. ; 2:4, s. 369-386
  • Tidskriftsartikel (refereegranskat)abstract
    • An overview is presented of the characteristics of HEP computing and its mapping to the Grid paradigm. This is followed by a synopsis of the main experiences and lessons learned by HEP experiments in their use of DataGrid middleware using both the EDG application testbed and the LCG production service. Particular reference is made to experiment lsquodata challengesrsquo, and a forward look is given to necessary developments in the framework of the EGEE project
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2.
  • Toulouse, Julien, et al. (författare)
  • Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states : Example of the lithium atom
  • 2022
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 157:24
  • Tidskriftsartikel (refereegranskat)abstract
    • We consider the calculations of photoionization spectra and core resonances of open-shell systems using range-separated time-dependent density-functional theory. Specifically, we use the time-dependent range-separated hybrid (TDRSH) scheme, combining a long-range Hartree-Fock exchange potential and kernel with a short-range potential and kernel from a local density-functional approximation, and the time-dependent locally range-separated hybrid (TDLRSH) scheme, which uses a local range-separation parameter. To efficiently perform the calculations, we formulate a spin-unrestricted linear-response Sternheimer approach in a non-orthogonal B-spline basis set using appropriate frequency-dependent boundary conditions. We illustrate this approach on the Li atom, which suggests that TDRSH and TDLRSH are adequate simple methods for estimating the single-electron photoionization spectra of open-shell systems.
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