E
Elias Rudberg
Researcher at Uppsala University
Publications - 42
Citations - 1914
Elias Rudberg is an academic researcher from Uppsala University. The author has contributed to research in topics: Matrix (mathematics) & Sparse matrix. The author has an hindex of 17, co-authored 41 publications receiving 1830 citations. Previous affiliations of Elias Rudberg include University of Warwick & Royal Institute of Technology.
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Dalton, a molecular electronic structure program
Hans Ågren,David John. Wilson,Olav Vahtras,Peter R. Taylor,Kristian O. Sylvester-Hvid,Bernd Schimmelpfennig,Stephan P. A. Sauer,Trond Saue,A. M. J. Sanchez de Meras,Paweł Sałek,Kenneth Ruud,Torgeir A. Ruden,Elias Rudberg,Zilvinas Rinkevicius,Thomas Bondo Pedersen,Martin J. Packer,Jeppe Olsen,Patrick Norman,Kurt V. Mikkelsen,Ola B. Lutnæs,Henrik Koch,Rika Kobayashi,Wim Klopper,Sheela Kirpekar,P. Joergensen,D. Jonsson,H. J. Aa. Jensen,Hinne Hettema,Trygve Helgaker,H. Heiberg,Asger Halkier,Kasper Hald,C. Haettig,Berta Fernández,Thomas Enevoldsen,E. K. Dalskov,Pål Dahle,Sonia Coriani,Renzo Cimiraglia,Ove Christiansen,Vebjørn Bakken,Keld L. Bak,Celestino Angeli +42 more
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Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons.
Elias Rudberg,Paweł Sałek,Yi Luo +2 more
TL;DR: Calculations with hybrid density functional demonstrate that finite graphene ribbons behave as half-semiconductors, showing that the spin-dependent band gap can be changed in a wide range, making possible many applications in spintronics.
Dalton, a molecular electronic structure program, Release Dalton2011
Celestino Angeli,Keld L. Bak,Vebjørn Bakken,Ove Christiansen,Renzo Cimiraglia,Sonia Coriani,Pål Dahle,E. K. Dalskov,Thomas Enevoldsen,Berta Fernández,Lara Ferrighi,Luca Frediani,C. Haettig,Kasper Hald,Asger Halkier,H. Heiberg,Trygve Helgaker,Hinne Hettema,B. Jansik,Hans-Jørgen Aa. Jensen,D. Jonsson,Poul Jørgensen,Sheela Kirpekar,Wim Klopper,Stefan Knecht,Rika Kobayashi,Jacob Kongsted,Henrik Koch,Andrea Ligabue,Ola B. Lutnæs,Kurt V. Mikkelsen,Christian B. Nielsen,Patrick Norman,Jeppe Olsen,Anders Osted,Martin J. Packer,Thomas Bondo Pedersen,Zilvinas Rinkevicius,Elias Rudberg,Torgeir A. Ruden,Kenneth Ruud,Paweł Sałek,Claire C. M. Samson,A. M. J. Sanchez de Meras,Trond Saue,Stephan P. A. Sauer,Bernd Schimmelpfennig,Arnfinn Hykkerud Steindal,K. O. Sylvester Hvid,Peter R. Taylor,Olav Vahtras,D. J. Wilson,H. Aagren +52 more
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Calculations of two-photon charge-transfer excitations using Coulomb-attenuated density-functional theory
TL;DR: The Coulomb-attenuated functional, which retains the best aspects of the Hartree-Fock and DFT-B3LYP methods, proves to be very promising for further modeling design of multiphoton materials with technical applications.
Journal ArticleDOI
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage.
TL;DR: The described method makes efficient use of sparse data structures at all times and scales linearly with respect to both computational time and memory usage.