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Viser treff 1-11 av 11

2020
1 Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Moitra, Torsha; Paul, Alexander Christian; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund; Koch, Henrik.
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics 2020 ;Volum 152.(18) s. 184103-184103-13
NTNU Untitled
 
2019
2 Faber, Rasmus; Kjønstad, Eirik Fadum; Koch, Henrik; Coriani, Sonia.
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. Journal of Chemical Physics 2019 ;Volum 151.(14) s. 144107-1-144107-10
NTNU Untitled
 
3 Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Koch, Henrik.
An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics 2019 ;Volum 150.(19) s. 194112-
NTNU Untitled
 
4 Kjønstad, Eirik Fadum; Koch, Henrik.
An Orbital Invariant Similarity Constrained Coupled Cluster Model. Journal of Chemical Theory and Computation 2019 ;Volum 15.(10) s. 5386-5397
NTNU Untitled
 
2018
5 Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Koch, Henrik.
Efficient Cholesky decomposition algorithms for multilevel methods. Methods and Algorithms in Quantum Chemistry; 2018-12-13 - 2018-12-15
NTNU Untitled
 
2017
6 Kjønstad, Eirik Fadum; Heilemann Myhre, Rolf; Martinez, Todd J.; Koch, Henrik.
Crossing conditions in coupled cluster theory. Journal of Chemical Physics 2017 ;Volum 147.(16)
NTNU Untitled
 
7 Kjønstad, Eirik Fadum; Koch, Henrik.
Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics. The Journal of Physical Chemistry Letters 2017 ;Volum 8.(19) s. 4801-4807
NTNU Untitled
 
2016
8 Jensen, Tomas Lunde; Moxnes, John Fredrik; Kjønstad, Eirik Fadum; Unneberg, Erik.
A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives. Central European Journal of Energetic Materials 2016 ;Volum 13.(2) s. 445-467
FFI Untitled
 
9 Kjønstad, Eirik.
Symmetric Coupled Cluster Theory. : NTNU 2016 81 s.
NTNU Untitled
 
10 Kjønstad, Eirik; Moxnes, John Fredrik; Jensen, Tomas Lunde; Unneberg, Erik.
A Critical Investigation of Proposed Electrostatic Corrections to Quantum Mechanical Volumes: The Importance of Variation and the Irrelevance of Imbalance. Molecular Physics 2016 ;Volum 114.(11) s. 1822-1830
FFI Untitled
 
11 Kjønstad, Eirik; Moxnes, John Fredrik; Jensen, Tomas Lunde; Unneberg, Erik.
All Molecular Surfaces are Equal: Demanding Invariance of Predictions in Linear Single-Variable Models. Molecular Physics 2016 ;Volum 114.(10) s. 1559-1567
FFI Untitled