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Density functional theory
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231	DEPARTMENT OF ENERGY COMPUTATIONAL SCIENCE GRADUATE FELLOWSHIP DEIXIS THE ANNUAL Add to Reading List Source URL: www.krellinst.org Language: English - Date: 2012-08-13 15:05:57 Waves Electromagnetic radiation Radiation Photovoltaics Exascale computing Supercomputing Argonne National Laboratory Density functional theory Sunlight United States Department of Energy National Laboratories Physics Chemistry
232	H ISTORY A Forum of The American Physical Society • Volume VIII, No.3 • Fall 2001 of Physics NEWSLETTER Add to Reading List Source URL: www.aps.org Language: English - Date: 2008-07-28 17:34:05 Spintronics Theoretical chemistry Quantum chemistry Density functional theory Electronic band structure Electron Walter Kohn Nuclear magnetic resonance Spin polarization Physics Chemistry Science
233	PHYSICAL REVIEW B VOLUME 59, NUMBER 7 15 FEBRUARY 1999-I Add to Reading List Source URL: uw.physics.wisc.edu Language: English - Date: 2001-02-02 14:11:00 Condensed matter physics Spectroscopy Quantum phases Electronic band structure Density functional theory Band gap Crystal Semiconductor Photoemission spectroscopy Physics Chemistry Science
234	PHYSICAL REVIEW B VOLUME 56, NUMBER[removed]SEPTEMBER 1997-II Add to Reading List Source URL: uw.physics.wisc.edu Language: English - Date: 2001-02-02 14:38:00 Electronic band structure Electron Angle-resolved photoemission spectroscopy Band gap Semiconductor Crystal Band mapping Density functional theory XANES Physics Condensed matter physics Chemistry
235	Peter H.M. Budzelaar List of Publications[removed]Ylijoki, K.E.O.; Budzelaar, P.H.M.; Stryker, J.M. A Density Functional Theory Investigation of the Cobalt-Mediated 5Pentadienyl/Alkyne [5+2] Cycloaddition Reaction: Add to Reading List Source URL: home.cc.umanitoba.ca Language: English - Date: 2013-01-06 15:48:30 Organometallic chemistry Migratory insertion
236	Ab initio computational methods for the prediction of stability, structure and properties of minerals at high pressure and high temperature conditions Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche – Universi Add to Reading List Source URL: speakerd.s3.amazonaws.com Language: English - Date: 2014-06-04 10:41:22 Science Quantum mechanics Computational chemistry Theoretical chemistry Molecular Hamiltonian Born–Oppenheimer approximation Density functional theory Schrödinger equation Crystal Chemistry Physics Quantum chemistry
237	Chapter 1: What is Density Functional Theory Add to Reading List Source URL: media.wiley.com Language: English - Date: 2011-09-05 07:11:36 Quantum chemistry Atomic physics Chemical properties Molecular physics Density functional theory Electron Computational chemistry Chemical bond Energy level Chemistry Physics Theoretical chemistry
238	PDF Document Add to Reading List Source URL: media.wiley.com Language: English - Date: 2013-08-25 10:13:58 Density functional theory Fermi energy Jellium Free electron model Identical particles Fermi gas Kinetic energy Calculus of variations Local-density approximation Physics Condensed matter physics Fermi–Dirac statistics
239	PDF Document Add to Reading List Source URL: media.wiley.com Language: English - Date: 2013-08-26 19:15:32 Computational chemistry Quantum chemistry Atomic physics Spectroscopy Density functional theory Time-dependent density functional theory Ab initio quantum chemistry methods Electronic correlation Excited state Chemistry Physics Theoretical chemistry
240	NATIONAL HELLENIC RESEARCH FOUNDATION THEORETICAL & PHYSICAL CHEMISTRY INSTITUTE Nektarios N. Lathiotakis Senior researcher Theoretical and Physical Chemistry Institute, Add to Reading List Source URL: www.eie.gr Language: English - Date: 2014-05-13 09:41:32 Chemistry Padma Kant Shukla Mitsutaka Fujita Density functional theory Physics Quantum chemistry

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