The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water

Journal of Chemical Physics

Volumn 122, Issue 1, 2005, Pages

  VandeVondele, Joost ^a,b,c   Mohamed, Fawzi ^a,b,c   Krack, Matthias ^a,b,c   Hutter, Jürg ^a,b,c   Sprik, Michiel ^a,b   Parrinello, Michele ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b ETH ZURICH   (Switzerland)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SYSTEMS; CORRELATION FUNCTIONS (CF); DIFFUSION CONSTANTS; MOLECULAR SIMULATION;

COMPUTER SIMULATION; CORRELATION METHODS; DIFFUSION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; WATER;

FLUID DYNAMICS;

EID: 22944439420     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1828433     Document Type: Article

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