Gear formalism of the always stable predictor-corrector method for molecular dynamics of polarizable molecules

Journal of Chemical Physics

Volumn 122, Issue 16, 2005, Pages

  Kolafa, Jiří ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENTS; ELECTROSTATIC FORCES; GEAR FORMALISM; POINT CHARGES;

CHEMICAL RELAXATION; ELECTRIC FIELDS; HAMILTONIANS; ITERATIVE METHODS; LAGRANGE MULTIPLIERS; ORDINARY DIFFERENTIAL EQUATIONS; POLYNOMIALS; PREDICTIVE CONTROL SYSTEMS;

MOLECULAR DYNAMICS;

EID: 21244490860     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1884107     Document Type: Article

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