ParAMS: Parameter Optimization for Atomistic and Molecular Simulations
Komissarov, Leonid, Rüger, Robert, Hellström, Matti, Verstraelen, Toon
Published in Journal of chemical information and modeling (23.08.2021)
Published in Journal of chemical information and modeling (23.08.2021)
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Journal Article
Efficient Calculation of Electronic Absorption Spectra by Means of Intensity-Selected Time-Dependent Density Functional Tight Binding
Rüger, Robert, van Lenthe, Erik, Lu, You, Frenzel, Johannes, Heine, Thomas, Visscher, Lucas
Published in Journal of chemical theory and computation (13.01.2015)
Published in Journal of chemical theory and computation (13.01.2015)
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Journal Article
TD-DFT+TB: An Efficient and Fast Approach for Quantum Plasmonic Excitations
Asadi-Aghbolaghi, Narges, Rüger, Robert, Jamshidi, Zahra, Visscher, Lucas
Published in Journal of physical chemistry. C (09.04.2020)
Published in Journal of physical chemistry. C (09.04.2020)
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Journal Article
Zn2+‐Ion Sensing by Fluorescent Schiff Base Calix[4]arene Macrocycles
Ullmann, Steve, Schnorr, René, Handke, Marcel, Laube, Christian, Abel, Bernd, Matysik, Jörg, Findeisen, Matthias, Rüger, Robert, Heine, Thomas, Kersting, Berthold
Published in Chemistry : a European journal (17.03.2017)
Published in Chemistry : a European journal (17.03.2017)
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Journal Article
Correction to Efficient Calculation of Electronic Absorption Spectra by Means of Intensity-Selected Time-Dependent Density Functional Tight Binding
Rüger, Robert, van Lenthe, Erik, Lu, You, Frenzel, Johannes, Heine, Thomas, Visscher, Lucas
Published in Journal of chemical theory and computation (11.07.2017)
Published in Journal of chemical theory and computation (11.07.2017)
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Journal Article
The phase diagram of the square lattice bilayer Hubbard model: a variational Monte Carlo study
Rüger, Robert, Tocchio, Luca F, Valentí, Roser, Gros, Claudius
Published in New journal of physics (07.03.2014)
Published in New journal of physics (07.03.2014)
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Journal Article
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states
Rüger, Robert, van Lenthe, Erik, Heine, Thomas, Visscher, Lucas
Published in The Journal of chemical physics (14.05.2016)
Published in The Journal of chemical physics (14.05.2016)
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Journal Article
Spin polarization in SCC-DFTB
Melix, Patrick, Oliveira, Augusto Faria, Rüger, Robert, Heine, Thomas
Published in Theoretical chemistry accounts (01.09.2016)
Published in Theoretical chemistry accounts (01.09.2016)
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Journal Article
Zn 2+ -Ion Sensing by Fluorescent Schiff Base Calix[4]arene Macrocycles
Ullmann, Steve, Schnorr, René, Handke, Marcel, Laube, Christian, Abel, Bernd, Matysik, Jörg, Findeisen, Matthias, Rüger, Robert, Heine, Thomas, Kersting, Berthold
Published in Chemistry : a European journal (17.03.2017)
Published in Chemistry : a European journal (17.03.2017)
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Journal Article
Linear Chains of Magnetic Ions Stacked with Variable Distance: Ferromagnetic Ordering with a Curie Temperature above 20 K
Friedländer, Stefan, Liu, Jinxuan, Addicoat, Matt, Petkov, Petko, Vankova, Nina, Rüger, Robert, Kuc, Agnieszka, Guo, Wei, Zhou, Wencai, Lukose, Binit, Wang, Zhengbang, Weidler, Peter G., Pöppl, Andreas, Ziese, Michael, Heine, Thomas, Wöll, Christof
Published in Angewandte Chemie (International ed.) (04.10.2016)
Published in Angewandte Chemie (International ed.) (04.10.2016)
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Journal Article
Mit variablem Abstand gestapelte lineare Ketten magnetischer Ionen: ferromagnetische Ordnung mit einer Curie‐Temperatur von über 20 K
Friedländer, Stefan, Liu, Jinxuan, Addicoat, Matt, Petkov, Petko, Vankova, Nina, Rüger, Robert, Kuc, Agnieszka, Guo, Wei, Zhou, Wencai, Lukose, Binit, Wang, Zhengbang, Weidler, Peter G., Pöppl, Andreas, Ziese, Michael, Heine, Thomas, Wöll, Christof
Published in Angewandte Chemie (04.10.2016)
Published in Angewandte Chemie (04.10.2016)
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Journal Article
ParAMS: Parameter Optimization for Atomistic and Molecular Simulations
Komissarov, Leonid, Rüger, Robert, Hellström, Matti, Verstraelen, Toon
Published in arXiv.org (23.03.2021)
Published in arXiv.org (23.03.2021)
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Paper
Journal Article
Linear Chains of Magnetic Ions Stacked with Variable Distance: Ferromagnetic Ordering with a Curie Temperature above 20K
Friedlander, Stefan, Liu, Jinxuan, Addicoat, Matt, Petkov, Petko, Vankova, Nina, Ruger, Robert, Kuc, Agnieszka, Guo, Wei, Zhou, Wencai, Lukose, Binit, Wang, Zhengbang, Weidler, Peter G, Poppl, Andreas, Ziese, Michael, Heine, Thomas, Woll, Christof
Published in Angewandte Chemie International Edition (04.10.2016)
Published in Angewandte Chemie International Edition (04.10.2016)
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Journal Article
Mit variablem Abstand gestapelte lineare Ketten magnetischer Ionen: ferromagnetische Ordnung mit einer Curie-Temperatur von über 20 K
Friedländer, Stefan, Liu, Jinxuan, Addicoat, Matt, Petkov, Petko, Vankova, Nina, Rüger, Robert, Kuc, Agnieszka, Guo, Wei, Zhou, Wencai, Lukose, Binit, Wang, Zhengbang, Weidler, Peter G., Pöppl, Andreas, Ziese, Michael, Heine, Thomas, Wöll, Christof
Published in Angewandte Chemie (04.10.2016)
Published in Angewandte Chemie (04.10.2016)
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Journal Article
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding
Rüger, Robert, Niehaus, Thomas, Erik van Lenthe, Heine, Thomas, Visscher, Lucas
Published in arXiv.org (01.11.2016)
Published in arXiv.org (01.11.2016)
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Paper
Journal Article
Spin polarization in SCC-DFTB
Melix, Patrick, Augusto Faria Oliveira, Rüger, Robert, Heine, Thomas
Published in arXiv.org (03.09.2016)
Published in arXiv.org (03.09.2016)
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Journal Article