Density functional theory

Results: 328



#Item
1LONI Institute workshop on  Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011

LONI Institute workshop on Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011

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Source URL: institute.loni.org

Language: English - Date: 2011-07-25 06:50:48
    2Electronic Structure Calculations and Density Functional Theory Rodolphe Vuilleumier Pˆ ole de chimie th´ eorique

    Electronic Structure Calculations and Density Functional Theory Rodolphe Vuilleumier Pˆ ole de chimie th´ eorique

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    Source URL: www-liphy.ujf-grenoble.fr

    Language: English - Date: 2017-10-19 03:15:35
      35  The Gutzwiller Density Functional Theory ¨ Bunemann Jorg ¨

      5 The Gutzwiller Density Functional Theory ¨ Bunemann Jorg ¨

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      Source URL: www.cond-mat.de

      - Date: 2012-08-20 13:43:07
        42  Density Functional Theory and Applications to Transition Metal Oxides David J. Singh Oak Ridge National Laboratory

        2 Density Functional Theory and Applications to Transition Metal Oxides David J. Singh Oak Ridge National Laboratory

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        Source URL: www.cond-mat.de

        - Date: 2012-08-20 13:43:11
          5Chemistry / Nitroamines / Simple aromatic rings / Triazines / RDX / Explosive material / Explosives / HMX / Density functional theory / Tetrazole / Sensitivity

          OPTIMIZATION OF DFT METHODS AND BASIS SETS TO INVESTIGATE THE DECOMPOSITION OF NOVEL HEDMS Lenora K. Harper, and Craig A. Bayse* Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, 23529

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          Source URL: www.vsgc.odu.edu

          Language: English - Date: 2013-05-02 13:43:32
          610 DFT-based Green Function Approach for Impurity Calculations Rudolf Zeller Institute for Advanced Simulation Forschungszentrum Julich GmbH

          10 DFT-based Green Function Approach for Impurity Calculations Rudolf Zeller Institute for Advanced Simulation Forschungszentrum Julich GmbH

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          Source URL: www.cond-mat.de

          Language: English - Date: 2012-08-20 13:43:10
          7Density Functional Theory for Emergents

          Density Functional Theory for Emergents

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          Source URL: www.cond-mat.de

          Language: English - Date: 2013-09-03 08:41:19
          8Microsoft Word - liu_porphyrin_SI.docx

          Microsoft Word - liu_porphyrin_SI.docx

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          Source URL: www.columbia.edu

          Language: English - Date: 2015-11-09 13:56:00
          9Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies

          Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies

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          Source URL: ftp.theochem.rub.de

          Language: English - Date: 2004-02-24 03:00:44
          10Density Functional Perturbation Theory and Electron Phonon Coupling

          Density Functional Perturbation Theory and Electron Phonon Coupling

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          Source URL: www.cond-mat.de

          Language: English - Date: 2013-09-03 06:05:13