Re: CCL:basis sets for NMR in KS-DFT

 > is anyone aware of a systematic study exploring the
 > basis set dependence of NMR chemical shift calculations
 > (or of other magnetic properties, such as ESR g-tensors)
 > in the context of DFT? Is there a consensus of what kind
 > of basis set (size of valence space, polarization, diffuse
 > functions) is appropriate?
 I have two papers in mind, one quite recently which is only dedicated to DFT:
   Buehl, Kaupp, Malkina, Malkin: J. Comput. Chem., 20, 91-105(1999)
 and another comparing DFT/HF and differnt methods (GIAO/CSGT):
   Chesseman, Trucks, Keith, Frisch: J. Chem. Phys., 104, 5497(1996)
 Regards,
   Oliver
 ----
  Oliver Kohlbacher   (oliver - at - mpi-sb.mpg.de)
  Max-Planck-Institut fuer Informatik, Im Stadtwald, 66121 Saarbruecken
  Tel.: 0681-9325-505 Fax: 0681-9325-199