TY  - BOOK
AU  - Marx,Dominik
AU  - Hutter,Jürg
TI  - Ab initio molecular dynamics : basic theory and advanced methods
SN  - 9780521898638 (hbk):
AV  - QD461 .M286 2009
U1  - 541.394 23rd
PY  - 2009///
CY  - New York
PB  - Cambridge University Press
KW  - Molecular dynamics
KW  - Computer simulation
N1  - Includes bibliographical references (p. 419-549) and index; Setting the stage : why ab initio molecular dynamics? -- Getting started : unifying MD and electronic structure -- Implementation : using the plane wave basis set -- Atoms with plane waves : accurate pseudopotentials -- Beyond standard ab initio molecular dynamics -- Beyond norm-conserving pseudopotentials -- Computing properties -- Parallel computing -- From materials to biomolecules -- Properties from ab initio simulations
UR  - http://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html
UR  - http://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html
UR  - http://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html
ER  -