000			01499cam a2200397 a 4500
999			_c28330 _d28301
001			4787187
003			EG-ScBUE
005			20200311102914.0
008			010720r20022000gw a f b 001 0 eng d
020			_a3527303723 (pbk.)
020			_a9783627303723
035			_a(OCoLC)ocn685833646
035			_a4787187
040			_aDLC _beng _erda _cDLC _dUKM _dOHX _dWAU _dEG-ScBUE
082	0	4	_a541.28 _bKOC _222
100	1		_aKoch, Wolfram, _eauthor.
245	1	2	_aA chemist's guide to density functional theory / _cWolfram Koch, Max C. Holthausen.
250			_aSecond edition.
250			_aReprinted edition.
264		1	_aWeinheim : _bWiley-VCH, _c2002.
300			_axiii, 294 pages : _billustrations ; _c25 cm
336			_2rdacontent _atext _btxt
337			_2rdamedia _aunmediated _bn
338			_2rdacarrier _avolume _bnc
504			_aIncludes bibliographical references and index.
520			_aMany use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
650		7	_aDensity functionals. _2BUEsh
650		7	_aElectronic structure. _2BUEsh
650		7	_aQuantum chemistry _xMathematics. _2BUEsh
653			_bENGCHE _cMarch2020
655			_vReading book _934232
700	1		_aHolthausen, Max C., _eauthor.
942			_2ddc _cBB
948			_aksl/gb