G. Jungnickel
Paderborn University
1 paper in the Anchorcite directory, published in 1998, cited 4,215 times in total.
Research topics
- Quantum and electron transport phenomena · 1 paper
- Advanced Chemical Physics Studies · 1 paper
- Physics of Superconductivity and Magnetism · 1 paper
Frequent co-authors
- Marcus Elstner · 1 paper
- Dirk V. Porezag · 1 paper
- J. Elsner · 1 paper
- Michael Haugk · 1 paper
- Thomas Frauenheim · 1 paper
- Sándor Suhai · 1 paper
- Gotthard Seifert · 1 paper
Papers
- Self-consistent-charge density-functional tight-binding method for simulations of complex materials propertiesPhysical review. B, Condensed matter · 1998 · 4,215 citations
We outline details about an extension of the tight-binding (TB) approach to improve total energies, forces, and transferability. The method is based on a second-order expansion of the Kohn-Sham total energy in density-functional theory (DFT) with respect to charge density…
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