Elias Rudberg

发表

Localized inverse factorization

Emanuel H. Rubensson, Anton G. Artemov, A. Kruchinina, 2018, IMA Journal of Numerical Analysis.

DALTON2013 { Dalton Program Manual

Kristian O. Sylvester-Hvid, Jógvan Magnus Haugaard Olsen, J. Olsen, 2013 .

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

DALTON2011 Program Manual

J. Olsen, P. Jørgensen, R. Cimiraglia, 2011 .

On-the-Fly Computation of Frontal Orbitals in Density Matrix Expansions.

Emanuel H. Rubensson, A. Kruchinina, Elias Rudberg, 2017, Journal of chemical theory and computation.

Heisenberg Exchange in Dinuclear Manganese Complexes: A Density Functional Theory Study.

H. Ågren, Ž. Rinkevičius, Elias Rudberg, 2006, Journal of chemical theory and computation.

The Chunks and Tasks Matrix Library

Emanuel H. Rubensson, Anton G. Artemov, Elias Rudberg, 2022, SoftwareX.

Fock Matrix Construction for Large Systems

Elias Rudberg, 2006 .

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Parameterless stopping criteria for density matrix expansions in electronic structure calculations

Emanuel H. Rubensson, Elias Rudberg, Anastasia Kruchinina, 2015 .

Computation of Franck-Condon factors for many-atom systems: simulated photoelectron spectra of formic acid isotopologues

T. Brinck, Elias Rudberg, 2004 .

Calculations of two-photon charge-transfer excitations using Coulomb-attenuated density-functional theory.

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005, The Journal of chemical physics.

Bringing about matrix sparsity in linear‐scaling electronic structure calculations

Emanuel H. Rubensson, Elias Rudberg, Elias Rudberg, 2011, J. Comput. Chem..

Methods for Hartree–Fock and density functional theory electronic structure calculations with linearly scaling processor time and memory usage

Emanuel H. Rubensson, Elias Rudberg, Paweł Sałek, 2011 .

Efficient implementation of the fast multipole method.

Paweł Sałek, Elias Rudberg, Elias Rudberg, 2006, The Journal of chemical physics.

Assessment of density matrix methods for linear scaling electronic structure calculations

Emanuel H. Rubensson, Elias Rudberg, Emanuel H Rubensson, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Density matrix purification with rigorous error control.

Emanuel H. Rubensson, Paweł Sałek, Elias Rudberg, 2008, The Journal of chemical physics.

Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons.

Paweł Sałek, Elias Rudberg, Yi Luo, 2007, Nano letters.

Parameterless Stopping Criteria for Recursive Density Matrix Expansions.

Emanuel H. Rubensson, Elias Rudberg, Anastasia Kruchinina, 2015, Journal of chemical theory and computation.

Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage.

Emanuel H. Rubensson, Elias Rudberg, Paweł Sałek, 2011, Journal of chemical theory and computation.

Hartree-Fock calculations with linearly scaling memory usage.

Emanuel H. Rubensson, Paweł Sałek, Elias Rudberg, 2008, The Journal of chemical physics.

Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions.

Emanuel H. Rubensson, Paweł Sałek, Elias Rudberg, 2009, Journal of chemical theory and computation.

A hierarchic sparse matrix data structure for large‐scale Hartree‐Fock/Kohn‐Sham calculations

Emanuel H. Rubensson, Elias Rudberg, Pawel Salek, 2007, J. Comput. Chem..

Quantum Chemistry for Large Systems

Elias Rudberg, Elias Rudberg, 2007 .

Rotations of occupied invariant subspaces in self-consistent field calculations

Emanuel H. Rubensson, Paweł Sałek, Elias Rudberg, 2008 .

Chunks and Tasks: A programming model for parallelization of dynamic algorithms pdf

Emanuel H. Rubensson, Elias Rudberg, Elias Rudberg, 2012, Parallel Comput..

Locality-aware parallel block-sparse matrix-matrix multiplication using the Chunks and Tasks programming model pdf

Emanuel H. Rubensson, Elias Rudberg, Elias Rudberg, 2015, Parallel Comput..

Truncation of small matrix elements based on the Euclidean norm for blocked data structures

Emanuel H. Rubensson, Elias Rudberg, Pawel Salek, 2009, J. Comput. Chem..

Sparse Matrix Algebra for Quantum Modeling of Large Systems

Emanuel H. Rubensson, Elias Rudberg, Pawel Salek, 2006, PARA.

Canonical density matrix perturbation theory.

Emanuel H. Rubensson, A. Niklasson, M. Cawkwell, 2015, Physical review. E, Statistical, nonlinear, and soft matter physics.

Difficulties in applying pure Kohn–Sham density functional theory electronic structure methods to protein molecules

Elias Rudberg, Elias Rudberg, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Efficient computation of the density matrix with error control on distributed computer systems pdf

Emanuel H. Rubensson, Elias Rudberg, Anastasia Kruchinina, 2019, ArXiv.

Ergo: An open-source program for linear-scaling electronic structure calculations

Emanuel H. Rubensson, Elias Rudberg, Paweł Sałek, 2018, SoftwareX.

Parallelization and scalability analysis of inverse factorization using the Chunks and Tasks programming model

Emanuel H. Rubensson, Elias Rudberg, Anton G. Artemov, 2019, Parallel Comput..

The Chunks and Tasks Matrix Library 2.0 pdf

Emanuel H. Rubensson, Elias Rudberg, Anton G. Artemov, 2020, ArXiv.