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Xizmatlar

Thomas Frauenheim

9 ta ish

University of Bremen

AkademScholarda batafsil koʻrsatkichlar

  1. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

    B. Hourahine, Bálint Aradi, Volker Blüm +36

    MaqolaOchiq kirish202015 iqtibos
    ABI

  2. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

    Marcus Elstner, D. Porezag, G. Jungnickel +5

    Maqola199813 iqtibos
    ABI

  3. DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method

    Bálint Aradi, B. Hourahine, Thomas Frauenheim

    Maqola20078 iqtibos
    ABI

  4. An approximate DFT method for QM/MM simulations of biological structures and processes

    Marcus Elstner, Thomas Frauenheim, Sándor Suhai

    Maqola20033 iqtibos
    ABI

  5. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

    D. Porezag, Thomas Frauenheim, Th. Köhler +2

    Maqola19953 iqtibos
    ABI

  6. A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology

    Thomas Frauenheim, Gotthard Seifert, M. Elsterner +5

    Maqola20003 iqtibos
    ABI

  7. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

    Gotthard Seifert, D. Porezag, Thomas Frauenheim

    Maqola19962 iqtibos
    ABI

  8. Stability of large vacancy clusters in silicon

    Torsten E.M. Staab, A. Sieck, M. Haugk +3

    Maqola20022 iqtibos
    ABI

  9. Structure and vibrational spectra of low-energy silicon clusters

    A. Sieck, D. Porezag, Thomas Frauenheim +2

    Maqola19972 iqtibos
    ABI