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      From molecules to solids with the DMol[sup 3] approach

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      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 27925 times – based on 0 reviews     Review now
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            An all-electron numerical method for solving the local density functional for polyatomic molecules

            B Delley (1990)
            Article 0 comments Cited 1161 times – based on 0 reviews     Review now
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              Ab initiomulticenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems

              Otto Sankey, David Niklewski (1989)
              Article 0 comments Cited 416 times – based on 0 reviews     Review now
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                DOI:: 10.1063/1.1316015

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