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Journal of Chemical Theory and Computation
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November 27, 2015
Nonmonotonic Recursive Polynomial Expansions for Linear Scaling Calculation of the Density Matrix
Emanuel H Rubensson
The Journal of Chemical Physics
|
May 10, 2008
Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification
Emanuel H Rubensson, Sara Zahedi
Journal of Computational Chemistry
|
February 2, 2011
Bringing about matrix sparsity in linear-scaling electronic structure calculations
Emanuel H Rubensson, Elias Rudberg
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 18, 2011
Assessment of density matrix methods for linear scaling electronic structure calculations
Elias Rudberg, Emanuel H Rubensson
Journal of Computational Chemistry
|
September 20, 2005
Systematic sparse matrix error control for linear scaling electronic structure calculations
Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
October 27, 2016
Parameterless Stopping Criteria for Recursive Density Matrix Expansions
Anastasia Kruchinina, Elias Rudberg, Emanuel H Rubensson
Journal of Computational Chemistry
|
May 16, 2007
A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 27, 2015
Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 25, 2015
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
December 2, 2017
On-the-Fly Computation of Frontal Orbitals in Density Matrix Expansions
Anastasia Kruchinina, Elias Rudberg, Emanuel H Rubensson
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 27, 2015
Nonmonotonic Recursive Polynomial Expansions for Linear Scaling Calculation of the Density Matrix
Emanuel H Rubensson
The Journal of Chemical Physics
|
May 10, 2008
Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification
Emanuel H Rubensson, Sara Zahedi
Journal of Computational Chemistry
|
February 2, 2011
Bringing about matrix sparsity in linear-scaling electronic structure calculations
Emanuel H Rubensson, Elias Rudberg
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 18, 2011
Assessment of density matrix methods for linear scaling electronic structure calculations
Elias Rudberg, Emanuel H Rubensson
Journal of Computational Chemistry
|
September 20, 2005
Systematic sparse matrix error control for linear scaling electronic structure calculations
Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
October 27, 2016
Parameterless Stopping Criteria for Recursive Density Matrix Expansions
Anastasia Kruchinina, Elias Rudberg, Emanuel H Rubensson
Journal of Computational Chemistry
|
May 16, 2007
A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 27, 2015
Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 25, 2015
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
December 2, 2017
On-the-Fly Computation of Frontal Orbitals in Density Matrix Expansions
Anastasia Kruchinina, Elias Rudberg, Emanuel H Rubensson
Page
of 3