M
Marek Sierka
Researcher at University of Jena
Publications - 153
Citations - 8960
Marek Sierka is an academic researcher from University of Jena. The author has contributed to research in topics: Density functional theory & Infrared spectroscopy. The author has an hindex of 47, co-authored 147 publications receiving 7803 citations. Previous affiliations of Marek Sierka include Autonomous University of Barcelona & Schiller International University.
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Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation
TL;DR: In this article, a new computational approach is presented that allows for an accurate and efficient treatment of the electronic Coulomb term in density functional methods, which partitions the Coulomb interactions into the near and far-field parts.
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Turbomole
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Sree Ganesh Balasubramani,Guo P. Chen,Sonia Coriani,Michael Diedenhofen,Marius S. Frank,Yannick J. Franzke,Filipp Furche,Robin Grotjahn,Michael E. Harding,Christof Hättig,Arnim Hellweg,Benjamin Helmich-Paris,Christof Holzer,Uwe Huniar,Martin Kaupp,Alireza Marefat Khah,Sarah Karbalaei Khani,Thomas Müller,Fabian Mack,Brian Nguyen,Shane M. Parker,Eva Perlt,Dmitrij Rappoport,Kevin Reiter,Saswata Roy,Matthias Rückert,Gunnar Schmitz,Marek Sierka,Enrico Tapavicza,David P. Tew,Christoph van Wüllen,Vamsee K. Voora,Florian Weigend,Artur Wodyński,Jason M. Yu +34 more
TL;DR: This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green's function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems.
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Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory.
TL;DR: The adsorption and reaction energies are compared with the results from Møller‐Plesset second‐order perturbation theory with basis set extrapolation and errors due to missing self‐interaction correction are not affected.
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The Atomic Structure of a Metal‐Supported Vitreous Thin Silica Film
Leonid Lichtenstein,Christin Büchner,Bing Yang,Shamil K. Shaikhutdinov,Markus Heyde,Marek Sierka,Radosław Włodarczyk,Joachim Sauer,Hans-Joachim Freund +8 more
TL;DR: The total pair correlation function of the structural model shows good agreement with diffraction experiments performed on vitreous silica.