Ab initio molecular dynamics : basic theory and advanced methods / Dominik Marx and Jürg Hutter. Marx, Dominik. Hutter, Jürg. Molecular dynamics Computer simulation. QD461 .M286 2009 531.11 22 MAA Includes bibliographical references (p. 419-549) and index. Cambridge ; New York : Cambridge University Press, 2009. 2009. 2009 Text x, 567 p. : http://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html http://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html http://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html eng