MARC Record from Library of Congress

LEADER: 02032cam a2200337 a 4500
001 2008038603
003 DLC
005 20110518082336.0
008 080902s2009 njua b 001 0 eng
010 $a 2008038603
020 $a9780470373170 (cloth)
020 $a0470373172 (cloth)
035 $a(OCoLC)ocn245025462
040 $aDLC$beng$cDLC$dBTCTA$dYDXCP$dOSU$dCDX$dC#P$dBWX$dHEBIS$dDEBBG$dUWW$dOCL$dEUM$dOCL$dDLC
050 00 $aQC20.7.D43$bS55 2009
082 00 $a530.14/4$222
084 $aUL 2000$2rvk
084 $aVE 5650$2rvk
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.
700 1 $aSteckel, Janice A.
856 41 $3Table of contents only$uhttp://www.loc.gov/catdir/toc/ecip0827/2008038603.html
856 41 $3Table of contents$uhttp://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&doc_number=017557515&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA