Ab initio calculation of hyperfine interaction parameters: Recent evolutions, recent examples

Cottenier S., Vanhoof V., Torumba D., Bellini V., ÇAKMAK M. , Rots M.

HYPERFINE INTERACTIONS, vol.158, pp.9-18, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 158
  • Publication Date: 2004
  • Doi Number: 10.1007/s10751-005-9018-2
  • Page Numbers: pp.9-18


For some years already, ab initio calculations based on Density Functional Theory (DFT) belong to the toolbox of the field of hyperfine interaction studies. In this paper, the standard ab initio approach is schematically sketched. New features, methods and possibilities that broke through during the past few years are listed, and their relation to the standard approach is explained. All this is illustrated by some highlights of recent ab initio work done by the Nuclear Condensed Matter Group at the K.U.Leuven.