000			03008nam a22005055i 4500
001			978-3-642-15144-6
003			DE-He213
005			20140220084544.0
007			cr nn 008mamaa
008			101202s2010 gw | s |||| 0|eng d
020			_a9783642151446 _9978-3-642-15144-6
024	7		_a10.1007/978-3-642-15144-6 _2doi
050		4	_aQC173.45-173.458
072		7	_aPHF _2bicssc
072		7	_aSCI077000 _2bisacsh
082	0	4	_a530.41 _223
100	1		_aWills, John M. _eauthor.
245	1	0	_aFull-Potential Electronic Structure Method _h[electronic resource] : _bEnergy and Force Calculations with Density Functional and Dynamical Mean Field Theory / _cby John M. Wills, Olle Eriksson, Per Andersson, Anna Delin, Oleksiy Grechnyev, Mebarek Alouani.
264		1	_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg, _c2010.
300			_aXII, 200 p. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aSpringer Series in Solid-State Sciences, _x0171-1873 ; _v167
505	0		_aFormalisms -- Introductory Information -- Density Functional Theory and the Kohn–Sham Equation -- Consequences of Infinite Crystals and Symmetries -- to Electronic Structure Theory -- Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation -- The Full-Potential Electronic Structure Problem and RSPt -- Dynamical Mean Field Theory -- Implementation -- Obtaining RSPt from the Web -- Applications -- Total Energy and Forces: Some Numerical Examples -- Chemical Bonding of Solids -- Magnetism -- Excitated State Properties -- A Database of Electronic Structures -- Future Developments and Outlook.
520			_aThis book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described and how they are implemented within the basis of linear muffin-tin orbitals. Functionals covered are the local spin density approximation, generalised gradient approximation, self-interaction correction and dynamical mean field theory.
650		0	_aPhysics.
650		0	_aMathematical physics.
650	1	4	_aPhysics.
650	2	4	_aCondensed Matter Physics.
650	2	4	_aMathematical Methods in Physics.
700	1		_aEriksson, Olle. _eauthor.
700	1		_aAndersson, Per. _eauthor.
700	1		_aDelin, Anna. _eauthor.
700	1		_aGrechnyev, Oleksiy. _eauthor.
700	1		_aAlouani, Mebarek. _eauthor.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9783642151439
830		0	_aSpringer Series in Solid-State Sciences, _x0171-1873 ; _v167
856	4	0	_uhttp://dx.doi.org/10.1007/978-3-642-15144-6
912			_aZDB-2-PHA
999			_c112587 _d112587