E-LIB Suche - Ergebnisse für: Jensen, Stig Rune

1

Full Breit Hamiltonian in the Multiwavelets Framework:

Tantardini, Christian ; Di Remigio Eikås, Roberto ; Bjørgve, Magnar..
Journal of Chemical Theory and Computation. 20 (2024) 2 - p. 882-890 , 2024

Link: https://doi.org/10.1021/..

2

VAMPyR—A high-level Python library for mathematical operati..:

Bjørgve, Magnar ; Tantardini, Christian ; Jensen, Stig Rune...
The Journal of Chemical Physics. 160 (2024) 16 - p. , 2024

Link: https://doi.org/10.1063/..

3

Scalar Relativistic Effects with Multiwavelets: Implementat..:

Brakestad, Anders ; Jensen, Stig Rune ; Tantardini, Christian...
Journal of Chemical Theory and Computation. 20 (2024) 2 - p. 728-737 , 2024

Link: https://doi.org/10.1021/..

4

Cavity-Free Continuum Solvation: Implementation and Paramet..:

Gerez S, Gabriel A. ; Di Remigio Eikås, Roberto ; Jensen, Stig Rune..
Journal of Chemical Theory and Computation. 19 (2023) 7 - p. 1986-1997 , 2023

Link: https://doi.org/10.1021/..

5

Quantifying Intramolecular Basis Set Superposition Errors:

Pitteloud, Quentin ; Wind, Peter ; Jensen, Stig Rune..
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

6

MRChem Multiresolution Analysis Code for Molecular Electron..:

Wind, Peter ; Bjørgve, Magnar ; Brakestad, Anders...
Journal of Chemical Theory and Computation. 19 (2022) 1 - p. 137-146 , 2022

Link: https://doi.org/10.1021/..

7

Kinetic energy-free Hartree–Fock equations: an integral for..:

Jensen, Stig Rune ; Durdek, Antoine ; Bjørgve, Magnar...
Journal of Mathematical Chemistry. 61 (2022) 2 - p. 343-361 , 2022

Link: https://doi.org/10.1007/..

8

Multiwavelets applied to metal–ligand interactions: Energie..:

Brakestad, Anders ; Wind, Peter ; Jensen, Stig Rune..
The Journal of Chemical Physics. 154 (2021) 21 - p. , 2021

Link: https://doi.org/10.1063/..

9

Static Polarizabilities at the Basis Set Limit: A Benchmark..:

Brakestad, Anders ; Jensen, Stig Rune ; Wind, Peter...
Journal of Chemical Theory and Computation. 16 (2020) 8 - p. 4874-4882 , 2020

Link: https://doi.org/10.1021/..

10

The Elephant in the Room of Density Functional Theory Calcu..:

Jensen, Stig Rune ; Saha, Santanu ; Flores-Livas, José A....
The Journal of Physical Chemistry Letters. 8 (2017) 7 - p. 1449-1457 , 2017

Link: https://doi.org/10.1021/..

11

Magnetic properties with multiwavelets and DFT: the complet..:

Jensen, Stig Rune ; Flå, Tor ; Jonsson, Dan...
Physical Chemistry Chemical Physics. 18 (2016) 31 - p. 21145-21161 , 2016

Link: https://doi.org/10.1039/..

12

Adaptive order polynomial algorithm in a multiwavelet repre..:

Durdek, Antoine ; Jensen, Stig Rune ; Juselius, Jonas...
Applied Numerical Mathematics. 92 (2015) - p. 40-53 , 2015

Link: https://doi.org/10.1016/..

13

Full Breit Hamiltonian in the Multiwavelets Framework:

Tantardini, Christian ; Di Remigio Eikås, Roberto ; Bjørgve, Magnar..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10809419/. , 2024

Link: http://www.ncbi.nlm.nih...

14

Scalar Relativistic Effects with Multiwavelets: Implementat..:

Brakestad, Anders ; Jensen, Stig Rune ; Tantardini, Christian...
Journal of Chemical Theory and Computation. , 2024

Link: https://hdl.handle.net/1..

15

Scalar Relativistic Effects with Multiwavelets: Implementat..:

Brakestad, Anders ; Jensen, Stig Rune ; Tantardini, Christian...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10809714/. , 2024

Link: http://www.ncbi.nlm.nih...