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008			100301s2009 enka b 001 0 eng d
010			_a 2010286603
015			_aGBA8B1871 _2bnb
016	7		_a014760310 _2Uk
020			_a9780521898638
020			_a0521898633
035			_a(OCoLC)ocn258083590
040			_aUKM _cUKM _dBWKUK _dBWK _dYDXCP _dSUC _dBWX _dTXI _dAGL _dOKU _dDLC _dBD-DhUL
042			_aukblsr _alccopycat
050	0	0	_aQD461 _b.M286 2009
070	0		_aQD461 _b.M287 2009
082	0	4	_a531.11 _222 _bMAA
100	1		_aMarx, Dominik.
245	1	0	_aAb initio molecular dynamics : _bbasic theory and advanced methods / _cDominik Marx and Jürg Hutter.
260			_aCambridge ; _aNew York : _bCambridge University Press, _c2009.
300			_ax, 567 p. : _bill. ; _c26 cm.
365			_aUS$ _b81.00
504			_aIncludes bibliographical references (p. 419-549) and index.
505	0		_aSetting 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.
650		0	_aMolecular dynamics _xComputer simulation.
700	1		_aHutter, Jürg.
856	4	2	_3Contributor biographical information _uhttp://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html
856	4	2	_3Publisher description _uhttp://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html
856	4	1	_3Table of contents only _uhttp://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html
906			_a7 _bcbc _ccopycat _d2 _encip _f20 _gy-gencatlg
942			_2ddc _cBK
955			_bxh14 2010-03-01 z-processor to xh00 _axh00 2010-03-01 to USPL/STM _cxh16 2010-08-25 to Subject
999			_c11332 _d11332