01997cam a22003977a 4500 16113281 BD-DhUL 20140917154127.0 100301s2009 enka b 001 0 eng d 2010286603 GBA8B1871 bnb 014760310 Uk 9780521898638 0521898633 (OCoLC)ocn258083590 UKM UKM BWKUK BWK YDXCP SUC BWX TXI AGL OKU DLC BD-DhUL ukblsr lccopycat QD461 .M286 2009 QD461 .M287 2009 531.11 22 MAA Marx, Dominik. Ab initio molecular dynamics : basic theory and advanced methods / Dominik Marx and Jürg Hutter. Cambridge ; New York : Cambridge University Press, 2009. x, 567 p. : ill. ; 26 cm. US$ 81.00 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. Molecular dynamics Computer simulation. Hutter, Jürg. Contributor biographical information http://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html Publisher description http://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html Table of contents only http://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html 7 cbc copycat 2 ncip 20 y-gencatlg ddc BK xh14 2010-03-01 z-processor to xh00 xh00 2010-03-01 to USPL/STM xh16 2010-08-25 to Subject 11332 11332 0 0 ddc 0 531_110000000000000_MAA 0 NFIC 20238 DUSL DUSL GEN 2014-09-17 Purchased 531.11 MAA 471788 2014-09-17 1 2014-09-17 BK 0 0 ddc 0 531_110000000000000_MAA 0 NFIC 20239 DUSL DUSL GEN 2014-09-17 Purchased 531.11 MAA 474061 2014-09-17 4 2014-09-17 BK 0 0 ddc 0 531_110000000000000_MAA 0 NFIC 20240 DUSL DUSL GEN 2014-09-17 Purchased 531.11 MAA 474060 2014-09-17 3 2014-09-17 BK 0 0 ddc 0 531_110000000000000_MAA 0 NFIC 20241 DUSL DUSL GEN 2014-09-17 Purchased 531.11 MAA 471789 2014-09-17 2 2014-09-17 BK