Hirakawa, Teruo <br/><br/>
Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.  [electronic resource] 

 -  Journal of physics. Condensed matter : an Institute of Physics journal  Oct 2017 
 - 405901 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1361-648X 
<br/><br/><label>Standard No.: </label>10.1088/1361-648X/aa810d  doi