Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals

Theoretical Chemistry Accounts

Volumn 114, Issue 1-3, 2005, Pages 145-152

  Krack, M ^a  

^a USI Campus ^*  (Switzerland)

Author keywords

CP2K; Gaussian plane waves method; Goedecker pseudopotentials; Gradient corrected functionals; Quickstep

Indexed keywords

EID: 25144446255     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0655-y     Document Type: Article

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