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

Joost VandeVondele, Fawzi Mohamed, Matthias Krack, Jürg Hutter, Michiel Sprik, Michele Parrinello
2005 Journal of Chemical Physics  
doi:10.1063/1.1828433 pmid:15638682 fatcat:iluwfon6era6xezvw36uu6eceq