| Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons E Rudberg, P Sałek, Y Luo Nano letters 7 (8), 2211-2213, 2007 | 232 | 2007 |
| Calculations of two-photon charge-transfer excitations using Coulomb-attenuated density-functional theory E Rudberg, P Sałek, T Helgaker, H Ågren The Journal of chemical physics 123 (18), 2005 | 125 | 2005 |
| Kohn− Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage E Rudberg, EH Rubensson, P Sałek Journal of chemical theory and computation 7 (2), 340-350, 2011 | 101 | 2011 |
| DALTON, a molecular electronic structure program H Agren, DJ Wilson, O Vahtras, PR Taylor, KO Sylvester-Hvid, ... see http://www. kjemi. uio. no/software/dalton/dalton. html: University of Oslo,, 2005 | 76 | 2005 |
| Difficulties in applying pure Kohn–Sham density functional theory electronic structure methods to protein molecules E Rudberg Journal of Physics: Condensed Matter 24 (7), 072202, 2012 | 66 | 2012 |
| Density matrix purification with rigorous error control EH Rubensson, E Rudberg, P Sałek The Journal of chemical physics 128 (7), 2008 | 57 | 2008 |
| Assessment of density matrix methods for linear scaling electronic structure calculations E Rudberg, EH Rubensson Journal of Physics: Condensed Matter 23 (7), 075502, 2011 | 48 | 2011 |
| Hartree–Fock calculations with linearly scaling memory usage E Rudberg, EH Rubensson, P Sałek The Journal of chemical physics 128 (18), 2008 | 43 | 2008 |
| Chunks and Tasks: A programming model for parallelization of dynamic algorithms EH Rubensson, E Rudberg Parallel Computing 40 (7), 328-343, 2014 | 42 | 2014 |
| A hierarchic sparse matrix data structure for large‐scale Hartree‐Fock/Kohn‐Sham calculations EH Rubensson, E Rudberg, P Sałek Journal of computational chemistry 28 (16), 2531-2537, 2007 | 40 | 2007 |
| Heisenberg exchange in dinuclear manganese complexes: A density functional theory study E Rudberg, P Sałek, Z Rinkevicius, H Ågren Journal of Chemical Theory and Computation 2 (4), 981-989, 2006 | 40 | 2006 |
| Bringing about matrix sparsity in linear‐scaling electronic structure calculations EH Rubensson, E Rudberg Journal of Computational Chemistry 32 (7), 1411-1423, 2011 | 36 | 2011 |
| Efficient implementation of the fast multipole method E Rudberg, P Sałek The Journal of chemical physics 125 (8), 2006 | 36 | 2006 |
| Locality-aware parallel block-sparse matrix-matrix multiplication using the chunks and tasks programming model EH Rubensson, E Rudberg Parallel Computing 57, 87-106, 2016 | 29 | 2016 |
| Ergo: An open-source program for linear-scaling electronic structure calculations E Rudberg, EH Rubensson, P Sałek, A Kruchinina SoftwareX 7, 107-111, 2018 | 28 | 2018 |
| Canonical density matrix perturbation theory AMN Niklasson, MJ Cawkwell, EH Rubensson, E Rudberg Physical Review E 92 (6), 063301, 2015 | 21 | 2015 |
| Parameterless stopping criteria for recursive density matrix expansions A Kruchinina, E Rudberg, EH Rubensson Journal of chemical theory and computation 12 (12), 5788-5802, 2016 | 17 | 2016 |
| Rotations of occupied invariant subspaces in self-consistent field calculations EH Rubensson, E Rudberg, P Sałek Journal of mathematical physics 49 (3), 2008 | 17 | 2008 |
| Truncation of small matrix elements based on the Euclidean norm for blocked data structures EH Rubensson, E Rudberg, P Sałek Journal of computational chemistry 30 (6), 974-977, 2009 | 15 | 2009 |
| A Linear Scaling Study of Solvent− Solute Interaction Energy of Drug Molecules in Aqua Solution L Bondesson, E Rudberg, Y Luo, P Sałek The Journal of Physical Chemistry B 111 (34), 10320-10328, 2007 | 14 | 2007 |
