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Conclusions

  • Localized spherical-wave basis sets
    • Few parameters ($R_{\rm {reg}}$, $E_{\rm {cut}}$, $\ell_{\rm {max}}$)
    • High accuracy
  • Iterative minimization method
    • Tensor properties
    • Preconditioning
  • Problems in optimizing localized functions

pdh1001@cam.ac.uk
http://www.tcm.phy.cam.ac.uk/$\sim$pdh1001/


Peter D. Haynes 2001-11-09