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Иш: Exploring the Multifunctionality of Nd0.5Ba0.5FeO3: A computational study on structural, electronic, magnetic, and optical properties

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI
  2. Projector augmented-wave method

    Peter E. Blöchl

    Мақола199442 иқтибос
    ABI
  3. From ultrasoft pseudopotentials to the projector augmented-wave method

    Georg Kresse, Daniel P. Joubert

    Мақола199939 иқтибос
    ABI
  4. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Paolo Giannozzi, O Andreussi, T Brumme +47

    Мақола20177 иқтибос
    ABI
  5. Efficient pseudopotentials for plane-wave calculations

    N. Troullier, José Luı́s Martins

    Мақола19915 иқтибос
    ABI
  6. Accurate and simple analytic representation of the electron-gas correlation energy

    John P. Perdew, Yue Wang

    Мақола19925 иқтибос
    ABI
  7. Effects of Fe substitution by Nb on physical properties of BaFeO3: A DFT+U study

    Imène Cherair, Nadia Iles, Lyacine Rabahi +1

    Мақола20162 иқтибос
    ABI
  8. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI
  9. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI
  10. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Giannozzi, P, Andreussi, O, Brumme, T +48

    Мақола20172 иқтибос
    ABI