000			03021nam a22003975i 4500
001			295118
003			MX-SnUAN
005			20160429155214.0
007			cr nn 008mamaa
008			150903s2006 gw | o |||| 0|eng d
020			_a9783540312970 _99783540312970
024	7		_a10.1007/3540312978 _2doi
035			_avtls000347640
039		9	_a201509030440 _bVLOAD _c201404121445 _dVLOAD _c201404091222 _dVLOAD _y201402070936 _zstaff
040			_aMX-SnUAN _bspa _cMX-SnUAN _erda
050		4	_aQC173.45-173.458
100	1		_aAdachi, Hirohiko. _eeditor. _9329290
245	1	0	_aHartree-Fock-Slater Method for Materials Science : _bThe DV-X? Method for Design and Characterization of Materials / _cedited by Hirohiko Adachi, Takeshi Mukoyama, Jun Kawai.
264		1	_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg, _c2006.
300			_axvI, 240 páginas 132 ilustraciones _brecurso en línea.
336			_atexto _btxt _2rdacontent
337			_acomputadora _bc _2rdamedia
338			_arecurso en línea _bcr _2rdacarrier
347			_aarchivo de texto _bPDF _2rda
490	0		_aSpringer Series in Materials Science, _x0933-033X ; _v84
500			_aSpringer eBooks
505	0		_aFundamental -- DV-X? Method and Molecular Structure -- Materials Science -- Alloy Design Based on the DV-X? Cluster Method -- Chemical Bonding Around Lattice Imperfections in 3d-Transition Metal Compounds -- Ceramics -- Magnetic Properties -- Optical Materials -- Heavy Elements -- Spectroscopy -- Radiative Transitions -- Response to the Creation of a Core Hole in Transition-Metal Compounds -- Determining Electronic Structure from Auger Spectra in the Cluster Approximation.
520			_aMolecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
590			_aPara consulta fuera de la UANL se requiere clave de acceso remoto.
700	1		_aMukoyama, Takeshi. _eeditor. _9329291
700	1		_aKawai, Jun. _eeditor. _9329292
710	2		_aSpringerLink (Servicio en línea) _9299170
776	0	8	_iEdición impresa: _z9783540245087
856	4	0	_uhttp://remoto.dgb.uanl.mx/login?url=http://dx.doi.org/10.1007/3-540-31297-8 _zConectar a Springer E-Books (Para consulta externa se requiere previa autentificación en Biblioteca Digital UANL)
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999			_c295118 _d295118