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      Improved initial guess for minimum energy path calculations

      Author(s): , , ,
      Publication date Created:
      Publication date (Print):
      Journal: The Journal of Chemical Physics
      Publisher: AIP Publishing

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
          Article 0 comments Cited 28446 times – based on 0 reviews     Review now
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            Projector augmented-wave method

            P. Blöchl (1994)
            Article 0 comments Cited 6900 times – based on 0 reviews     Review now
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              Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

              G Kresse, J. Furthmüller (1996)
              Article 0 comments Cited 5807 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Title: The Journal of Chemical Physics
                Abbreviated Title: The Journal of Chemical Physics
                Publisher: AIP Publishing
                ISSN (Print): 0021-9606
                ISSN (Electronic): 1089-7690
                Publication date Created: June 07 2014
                Publication date (Print): June 07 2014
                Volume: 140
                Issue: 21
                Page: 214106
                Article
                DOI: 10.1063/1.4878664
                PubMed ID: 24907989
                SO-VID: 22477240-9976-4a95-b4bb-23cc87217f61
                Copyright © © 2014
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