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Publications

Exact Muffin-Tin Orbitals method

  • ”Total energy method based on the Exact Muffin-Tin Orbitals Theory”
    L. Vitos, Phys. Rev. B 64, 014107 (2001).
  • ”Anisotropic lattice distortions in random alloys from first-principles theory”
    L. Vitos, I. A. Abrikosov, and B. Johansson, Phys. Rev. Lett. 87, 156401 (2001).
  • ”Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications”
    Levente Vitos, book, ISBN: 978-1-84628-950-7, Springer-Verlag London, Series: Engineering Materials and Processes (2007).
  • ”Analytic continuation-free Green's function approach to correlated electronic structure calculations”
    A. Östlin, L. Vitos, and L. Chioncel, Physical Review B 96, 125156 (2017).
  • ”Correlated electronic structure with uncorrelated disorder”
    A. Östlin, L. Vitos, and L. Chioncel, Physical Review B 98, 235135 (2018).
  • ”Electron localization function implementation in the exact muffin-tin orbitals method”
    Henrik Levämäki and Levente Vitos, Physical Review B 103, 035118 (2021).

Ab initio Green's function methods

  • ”Total energy method based on the Exact Muffin-Tin Orbitals Theory”
    L. Vitos, Phys. Rev. B 64, 014107 (2001).
  • ”Anisotropic lattice distortions in random alloys from first-principles theory”
    L. Vitos, I. A. Abrikosov, and B. Johansson, Phys. Rev. Lett. 87, 156401 (2001).
  • ”Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications”
    Levente Vitos, book, ISBN: 978-1-84628-950-7, Springer-Verlag London, Series: Engineering Materials and Processes (2007).
  • ”Fully relativistic implementation of the Exact MT-orbitals method”
    L. V. Pourovskii, A. V. Ruban, L. Vitos, H. Ebert, B. Johansson, and I. A. Abrikosov, Phys. Rev. B 71, 094415(10) (2005).
Belongs to: Hillert Modeling Laboratory
Last changed: Oct 14, 2021