J
Jürgen Furthmüller
Researcher at University of Jena
Publications - 188
Citations - 143957
Jürgen Furthmüller is an academic researcher from University of Jena. The author has contributed to research in topics: Ab initio & Band gap. The author has an hindex of 54, co-authored 186 publications receiving 117220 citations. Previous affiliations of Jürgen Furthmüller include Vienna University of Technology & Schiller International University.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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Linear optical properties in the projector-augmented wave methodology
TL;DR: In this paper, the authors derived closed expressions for the head of the frequency-dependent microscopic polarizability matrix in the projector-augmented wave (PAW) methodology, resulting in dielectric properties that are largely independent of the applied potentials.
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Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap.
V. Yu. Davydov,A. A. Klochikhin,R. P. Seisyan,Valentin V. Emtsev,Stefan Ivanov,Friedhelm Bechstedt,Jürgen Furthmüller,Hiroshi Harima,A. V. Mudryi,J. Aderhold,O. Semchinova,J. Graul +11 more
TL;DR: In this article, the authors present the results of a joint study with the Ioffe Physico-Technical Institute, Russian Academy of Science, Polytekhnicheskaya 26, 194021 St. Petersburg, Russia and the Belarus Academy of Sciences, Brovki 17, 220072 Minsk, Belarus.
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Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
TL;DR: In this paper, the phonon dispersion relations of diamond and graphite are calculated using an ab initio force constant method via a self-consistent supercell approach in the local density approximation in terms of the Hellmann-Feynman forces induced by the displacement of a single atom in the supercell.