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Computational Methods: Lanthanides and Actinides

  1. M. Dolg,
  2. X. Cao

Published Online: 15 SEP 2009

DOI: 10.1002/0470862106.ia640

Encyclopedia of Inorganic Chemistry

Encyclopedia of Inorganic Chemistry

How to Cite

Dolg, M. and Cao, X. 2009. Computational Methods: Lanthanides and Actinides. Encyclopedia of Inorganic Chemistry. .

Author Information

  1. Universität zu Köln, Köln, Germany

Publication History

  1. Published Online: 15 SEP 2009

Abstract

First-principles and semiempirical relativistic quantum chemical methods applicable to molecular systems containing lanthanides and actinides are briefly reviewed. Selected recent applications of some of these methods are discussed.

Keywords:

  • lanthanides;
  • actinides;
  • relativistic effects;
  • electron correlation;
  • quantum chemistry;
  • Schrödinger equation;
  • Dirac equation;
  • Breit interaction;
  • effective core potentials;
  • model potentials;
  • pseudopotentials