A critical analysis of the performance of conventional ab initio and DFT methods in the computation of Si6 ground state

Chemical Physics

Volumn 331, Issue 2-3, 2007, Pages 417-426

  Karamanis, Panaghiotis ^a   Zhang Negrerie, Daisy ^a   Pouchan, Claude ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

Ab initio; DFT; Pseudo Jahn Teller; Si6; Silicon clusters

Indexed keywords

EID: 33845645386     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.11.013     Document Type: Article

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