Molecular dynamics of potential models with polarizability: Comparison of methods

Journal of Molecular Liquids

Volumn 109, Issue 2, 2004, Pages 63-72

  Genzer, Jiří ^a   Kolafa, Jiří ^b  

^a CHARLES UNIVERSITY   (Czech Republic)

^b INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

Author keywords

Always stable predictor corrector; Car Parrinello; Lagrangian; Molecular dynamics; Polarizability; Predicted iterations

Indexed keywords

APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; CORRELATION METHODS; ELECTRIC FIELD EFFECTS; ELECTROMAGNETIC WAVE POLARIZATION; ELECTROSTATICS; ENERGY CONSERVATION; ERROR ANALYSIS; INTEGRATION; ITERATIVE METHODS; LAGRANGE MULTIPLIERS; LOW TEMPERATURE EFFECTS; OSCILLATIONS; PRESSURE MEASUREMENT; THERMODYNAMICS;

ALWAYS STABLE PREDICTOR-CORRECTOR; CAR-PARRINELLO; POLARIZABILITY; PREDICTED ITERATIONS;

MOLECULAR DYNAMICS;

EID: 0842290799     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2003.08.004     Document Type: Conference Paper

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