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Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

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Description scientific article published on 5 March 2008
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author: Luis Seijo  Zoila Barandiaran  Liviu F. Chibotaru  Roland Lindh  Kristine Pierloot 

Publication date April 1, 2008
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