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Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

Tersimpan di:
Main Author: CPC, Mendeley
Other Authors: Bockstedte, Michel, Kley, Alexander, Neugebauer, Jörg, Scheffler, Matthias
Format: Dataset
Terbitan: Mendeley , 1997
Subjects:
Surface Science
Condensed Matter Physics
Computational Physics
Online Access: https:/data.mendeley.com/datasets/ymnn4b85wj
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Lihat Juga

  • Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
    oleh: CPC, Mendeley
    Terbitan: (1999)
  • Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory
    oleh: CPC, Mendeley
    Terbitan: (1994)
  • Molecular dynamics simulation program of order N for condensed-matter systems II. MDSPNL: pyramid with neighbour list, short-range interactions
    oleh: CPC, Mendeley
    Terbitan: (1990)
  • A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions
    oleh: CPC, Mendeley
    Terbitan: (2001)
  • A self-consistent surface Green-function (SSGF) method for the calculation of isolated adsorbate atoms on a semi-infinite crystal
    oleh: CPC, Mendeley
    Terbitan: (1994)

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