Georg Kresse
TU Wien
1 paper in the Anchorcite directory, published in 1996, cited 124,084 times in total.
ORCID profileResearch topics
- Quantum and electron transport phenomena · 1 paper
- Advanced Chemical Physics Studies · 1 paper
- Physics of Superconductivity and Magnetism · 1 paper
Frequent co-authors
- Jürgen Furthmüller · 1 paper
Papers
- Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setPhysical review. B, Condensed matter · 1996 · 124,084 citations
We present an efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set. In the first part the application of Pulay's DIIS method (direct inversion in the iterative subspace) to the iterative…
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