MARC Record from harvard_bibliographic_metadata

LEADER: 02402cam a2200505 a 4500
001 013761539-6
005 20130820134200.0
008 080902s2009 njua b 001 0 eng
010 $a 2008038603
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020 $a0470373172 (cloth)
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050 00 $aQC20.7.D43$bS55 2009
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100 1 $aSholl, David S.
245 10 $aDensity functional theory :$ba practical introduction /$cDavid S. Sholl, Janice A. Steckel.
260 $aHoboken, N.J. :$bWiley,$cc2009.
300 $axii, 238 p. :$bill. ;$c25 cm.
504 $aIncludes bibliographical references and index.
505 0 $aWhat Is Density Functional Theory? -- DFT Calculations for Simple Solids -- Nuts and Bolts of DFT Calculations -- DFT Calculations for Surfaces of Solids -- DFT Calculations of Vibrational Frequencies -- Calculating Rates of Chemical Processes Using Transition State Theory -- Equilibrium Phase Diagrams from Ab Initio Thermodynamics -- Electronic Structure and Magnetic Properties -- Ab Initio Molecular Dynamics -- Accuracy and Methods beyond "Standard" Calculations.
520 8 $aThis work provides a brief, readable introduction to the key concepts and practical applications of DFT, at a level suitable for individuals who have never performed DFT calculations before. It includes worked examples and problems sets which will test the reader's ability to apply what they've learned.
650 0 $aDensity functionals.
650 0 $aMathematical physics.
650 0 $aQuantum chemistry.
650 4 $aYoğunluk fonksiyonları.
650 4 $aMatematiksel fizik.
650 4 $aKuantum kimyası.
650 07 $aDichtefunktionalformalismus.$2swd
653 0 $aDensity functionals
653 0 $aMathematical physics
653 0 $aQuantum chemistry
700 1 $aSteckel, Janice A.
776 08 $iPrint version:$aSholl, David S.$tDensity functional theory.$dHoboken, N.J. : Wiley, ©2009$z9780470373170$w(DLC) 2008038603$w(OCoLC)245025462
988 $a20130820
049 $aMCSS
906 $0DLC