Massive thermostatting in isothermal density functional molecular dynamics simulations

Journal of Chemical Physics

Volumn 119, Issue 5, 2003, Pages 2481-2487

  Windiks, René ^a   Delley, Bernard ^a  

^a PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); IRON COMPOUNDS; KINETIC ENERGY; PORPHYRINS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; TEMPERATURE CONTROL; THERMOSTATS;

MASSIVE THERMOSTATTING;

MOLECULAR DYNAMICS;

EID: 0042012855     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1586913     Document Type: Article

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