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Viser treff 1-14 av 14

2024
1 Brakestad, Anders; Jensen, Stig Rune; Tantardini, Christian; Pitteloud, Quentin Gregoire; Wind, Peter Ariaan; Užulis, Jānis; Gulans, Andris; Hopmann, Kathrin Helen; Frediani, Luca.
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark. Journal of Chemical Theory and Computation 2024 ;Volum 20. s. 728-737
UiT Untitled
 
2 Tantardini, Christian; Remigio, Roberto Di; Bjørgve, Magnar; Jensen, Stig Rune; Frediani, Luca.
Full Breit Hamiltonian in the Multiwavelets Framework. Journal of Chemical Theory and Computation 2024 ;Volum 20. s. 882-890
UiT Untitled
 
2023
3 Gerez Sazo, Gabriel Adolfo; Remigio Eikås, Roberto Di; Jensen, Stig Rune; Bjørgve, Magnar; Frediani, Luca.
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework. Journal of Chemical Theory and Computation 2023 ;Volum 19.(7) s. 1986-1997
UiT Untitled
 
4 Pitteloud, Quentin Grégoire; Wind, Peter Ariaan; Jensen, Stig Rune; Frediani, Luca; Jensen, Frank.
Quantifying Intramolecular Basis Set Superposition Errors. Journal of Chemical Theory and Computation 2023 ;Volum 19.(17) s. 5863-5871
UiT Untitled
 
2022
5 Jensen, Stig Rune; Durdek, Antoine Pacifique Romain; Bjørgve, Magnar; Wind, Peter; Flå, Tor; Frediani, Luca.
Kinetic energy-free Hartree–Fock equations: an integral formulation. Journal of Mathematical Chemistry 2022 ;Volum 61. s. 343-361
UiT MET Untitled
 
6 Wind, Peter; Bjørgve, Magnar; Brakestad, Anders; Gerez, Gabriel; Jensen, Stig Rune; Remigio, Roberto Di; Frediani, Luca.
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties. Journal of Chemical Theory and Computation 2022 ;Volum 19. s. 137-146
UiT Untitled
 
2021
7 Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen.
Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors. Journal of Chemical Physics 2021 ;Volum 154.(21) s. -
UiT MET Untitled
 
2020
8 Brakestad, Anders; Jensen, Stig Rune; Wind, Peter; D'Alessandro, Marco; Genovese, Luigi; Hopmann, Kathrin Helen; Frediani, Luca.
Static polarizabilities at the basis set limit: A benchmark of 124 species. Journal of Chemical Theory and Computation 2020 ;Volum 16. s. 4874-4882
UiT Untitled
 
2019
9 Anderson, Joel; Harrison, Robert J.; Sekino, Hideo; Sundahl, Bryan; Beylkin, Gregory; Fann, George I.; Jensen, Stig Rune; Sagert, Irina.
On derivatives of smooth functions represented in multiwavelet bases. Journal of Computational Physics: X 2019 ;Volum 4. s. 100033-
UiT Untitled
 
2017
10 Jensen, Stig Rune; Saha, Santanu; Flores-Livas, Jose A; Huhn, William; Blum, Volker; Goedecker, Stefan; Frediani, Luca.
The Elephant in the Room of Density Functional Theory Calculations. The Journal of Physical Chemistry Letters 2017 ;Volum 8.(7) s. 1449-1457
UiT Untitled
 
2016
11 Jensen, Stig Rune; Flå, Tor; Jonsson, Dan Johan; Monstad, Rune Sørland; Ruud, Kenneth; Frediani, Luca.
Magnetic properties with multiwavelets and DFT: The complete basis set limit achieved. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(31) s. 21145-21161
UiT Untitled
 
2015
12 Durdek, Antoine Pacifique Romain; Jensen, Stig Rune; Juselius, Jonas; Wind, Peter; Flå, Tor; Frediani, Luca.
Adaptive order polynomial algorithm in a multi-wavelet representation scheme. Applied Numerical Mathematics 2015 ;Volum 92. s. 40-53
UiT Untitled
 
2014
13 Jensen, Stig Rune; Juselius, Jonas; Durdek, Antoine Pacifique Romain; Flå, Tor; Wind, Peter; Frediani, Luca.
Linear scaling Coulomb interaction in the multiwavelet basis, a parallel implementation. International Journal of Modeling, Simulation, and Scientific Computing 2014 ;Volum 5. Suppl. 01
UiT Untitled
 
14 Os, Vibeke; Jensen, Stig Rune.
Nøyaktig beregning av molekylers egenskaper. uit.no/nyheter [Internett] 2014-06-23
UiT Untitled