Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: Implementation and applications

Journal of Chemical Theory and Computation

Volumn 4, Issue 4, 2008, Pages 586-594

  Swerts, Ben ^a   Chibotaru, Liviu F ^a   Lindh, Roland ^b   Seijo, Luis ^c   Barandiaran, Zoila ^c   Clima, Sergiu ^a   Pierloot, Kristin ^a   Hendrickx, Marc F A ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b LUND UNIVERSITY   (Sweden)

^c INSTITUTO NICOLÁS CABRERA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 50849095871     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct7003148     Document Type: Article

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