New potential model for molecular dynamic simulation of liquid HF. I - Parameter optimization for charge equilibration method

Molecular Simulation

Volumn 31, Issue 10, 2005, Pages 705-713

  Bourasseau, E ^a   Maillet, J B ^a   Mondelain, L ^a   Anglade, P M ^a  

^a Département de Physique Théorique et Appliquée   (France)

Author keywords

Charge equilibration method; Electrostatic potential; Fluctuating charges; Parameter optimization

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN INORGANIC COMPOUNDS; MOLECULES; OPTIMIZATION; PARAMETER ESTIMATION;

CHARGE EQUILIBRATION METHOD; ELECTROSTATIC POTENTIAL; FLUCTUATING CHARGES; PARAMETER OPTIMIZATION;

MOLECULAR DYNAMICS;

EID: 24644462197     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500231817     Document Type: Article

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