The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations

Theoretical Chemistry Accounts

Volumn 103, Issue 2, 1999, Pages 124-140

  Lippert, Gerald ^a   Hutter, Jürg ^a   Parrinello, Michele ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

Augmented plane waves; Density functional method; Gaussian basis; Molecular dynamics

Indexed keywords

EID: 0033262620     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050523     Document Type: Article

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