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Spherical averaged jellium model with norm-conserving pseudopotentials

  • G. Mattei
  • F. Toigo

Abstract:

The effect of non-local norm-conserving pseudo-potentials on the static and dynamic properties of Nan and Lin cluster with n=6,8 is investigated in the frame of self-consistent LDA calculations with spherically averaged ionic density (SAPS model). A comparison with previous calculations which use local pseudo-potentials as well with uniform averaged non-local pseudo-jellium calculation has been carried out. A better quantitative agreement with experiments has been found in the calculation of the photoresponse cross-section with respect to either simple jellium or pseudo-jellium model, even in very small clusters, where deviations from sphericity are not negligible.

PACS. 36.40.-c Atomic and molecular clusters - 71.15.Hx Pseudopotential method - 31.15.Ew Density-functional theory 

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Copyright information

© EDP Sciences, Springer-Verlag 1998

Authors and Affiliations

  • G. Mattei
    • 1
  • F. Toigo
    • 1
  1. 1.INFM, Unità di Padova, Dipartimento di Fisica “Galileo Galilei”, via Marzolo 8, I-35131, Università di Padova, Padova, ItalyIT

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