Theoretical Chemistry Accounts

, Volume 111, Issue 1, pp 56–56 | Cite as

Accuracy of geometries: influence of basis set, exchange–correlation potential, inclusion of core electrons, and relativistic corrections


Copyright information

© Springer-Verlag Berlin Heidelberg 2003

Authors and Affiliations

  1. 1.Theoretische Chemie (MSC)Rijksuniversiteit GroningenAG GroningenThe Netherlands
  2. 2.Organische en Anorganische ChemieVrije Universiteit AmsterdamHV AmsterdamThe Netherlands

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