A sparse self-consistent field algorithm and its parallel implementation: Application to density-functional-based tight binding

Journal of Chemical Theory and Computation

Volumn 10, Issue 6, 2014, Pages 2344-2354

  Scemama, Anthony ^a   Renon, Nicolas ^b   Rapacioli, Mathias ^a  

^a UNIVERSITÉ DE TOULOUSE   (France)

^b Université Paul Sabatier   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84902151315     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500115v     Document Type: Article

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