Parameter optimization for charge equilibration method in molecular simulations

AIP Conference Proceedings

Volumn 845 I, Issue , 2006, Pages 565-568

  Bourasseau, E ^a   Maillet, J B ^a  

^a CEA DIF   (France)

Author keywords

Ab initio reference data; Charge equilibration method; Parameters optimization

Indexed keywords

EID: 33846188998     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.2263385     Document Type: Conference Paper

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