Concepedia
Statistics
Publications
76
Citations
5.9K
H-Index
36
Active since
1976
Affiliations
University of Bremen(Current)
University of Regensburg
Institut Lumière Matière
Université Claude Bernard Lyon 1
Centre National de la Recherche Scientifique
Thomas A. Niehaus is an author at University of Bremen specializing in natural sciences, chemistry, and physics.
Publications per year
1976–2025
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.2K citations · Full text
Natural Sciences, Chemistry, Physics +17
Atomistic simulations of complex materials: ground-state and excited-state properties
Thomas Frauenheim, Gotthard Seifert, Marcus Elstner et al. · Journal of Physics Condensed Matter · 2002 · 551 citations
Tight-binding approach to time-dependent density-functional response theory
Thomas A. Niehaus, Sándor Suhai, Fabio Della Sala et al. · Physical review. B, Condensed matter · 2001 · 402 citations
Natural Sciences, Chemistry, Physics +14
Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods
Xing Gao, Shuming Bai, Daniele Fazzi et al. · Journal of Chemical Theory and Computation · 2016 · 387 citations · Full text
Application of an approximate density-functional method to sulfur containing compounds
Thomas A. Niehaus, Marcus Elstner, Thomas Frauenheim et al. · Journal of Molecular Structure THEOCHEM · 2001 · 203 citations
Natural Sciences, Chemistry, Materials Science +11
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