Relativity and Electron Correlation in Chemistry

Lucas Visscher


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In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. We obtain relativistic zero order wave functions by the use of the Dirac-Fock method and improve these by relativistic Configuration Interaction. This opens the way for an accurate ab initio treatment of both relativity and electron correlation in molecules or clusters that contain one or more heavy nuclei. ... Zie: Summary
Originele taal-2English
KwalificatieDoctor of Philosophy
  • Nieuwpoort, Willem, Supervisor
StatusPublished - 1993

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