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Journal of Chemical Theory and Computation
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August 18, 2023
Quantifying Intramolecular Basis Set Superposition Errors
Quentin Pitteloud, Peter Wind, Stig Rune Jensen, et al.
The Journal of Chemical Physics
|
July 9, 2021
Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors
Anders Brakestad, Peter Wind, Stig Rune Jensen, et al.
The Journal of Physical Chemistry. A
|
January 27, 2025
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods
Moritz Gubler, Jonas A Finkler, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
January 1, 2024
Full Breit Hamiltonian in the Multiwavelets Framework
Christian Tantardini, Roberto Di Remigio Eikås, Magnar Bjørgve, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, et al.
Journal of Chemical Theory and Computation
|
March 18, 2023
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
Gabriel A Gerez S, Roberto Di Remigio Eikås, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
June 17, 2020
Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species
Anders Brakestad, Stig Rune Jensen, Peter Wind, et al.
The Journal of Physical Chemistry Letters
|
March 15, 2017
The Elephant in the Room of Density Functional Theory Calculations
Stig Rune Jensen, Santanu Saha, José A Flores-Livas, et al.
Journal of Chemical Theory and Computation
|
November 21, 2022
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Peter Wind, Magnar Bjørgve, Anders Brakestad, et al.
Journal of Chemical Theory and Computation
|
January 5, 2024
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark
Anders Brakestad, Stig Rune Jensen, Christian Tantardini, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
August 18, 2023
Quantifying Intramolecular Basis Set Superposition Errors
Quentin Pitteloud, Peter Wind, Stig Rune Jensen, et al.
The Journal of Chemical Physics
|
July 9, 2021
Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors
Anders Brakestad, Peter Wind, Stig Rune Jensen, et al.
The Journal of Physical Chemistry. A
|
January 27, 2025
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods
Moritz Gubler, Jonas A Finkler, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
January 1, 2024
Full Breit Hamiltonian in the Multiwavelets Framework
Christian Tantardini, Roberto Di Remigio Eikås, Magnar Bjørgve, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved
Stig Rune Jensen, Tor Flå, Dan Jonsson, et al.
Journal of Chemical Theory and Computation
|
March 18, 2023
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
Gabriel A Gerez S, Roberto Di Remigio Eikås, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
June 17, 2020
Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species
Anders Brakestad, Stig Rune Jensen, Peter Wind, et al.
The Journal of Physical Chemistry Letters
|
March 15, 2017
The Elephant in the Room of Density Functional Theory Calculations
Stig Rune Jensen, Santanu Saha, José A Flores-Livas, et al.
Journal of Chemical Theory and Computation
|
November 21, 2022
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Peter Wind, Magnar Bjørgve, Anders Brakestad, et al.
Journal of Chemical Theory and Computation
|
January 5, 2024
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark
Anders Brakestad, Stig Rune Jensen, Christian Tantardini, et al.
Page
of 2