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Showing results 1-26 of 26

2022
1 Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Koch, Henrik.
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3. Journal of Chemical Theory and Computation 2022 ;Volume 18.(9) p. 5246-5258
NTNU Untitled
 
2021
2 Hutcheson, Anders; Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik; Høyvik, Ida-Marie.
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models. Journal of Computational Chemistry 2021 ;Volume 42.(20) p. 1419-1429
NTNU Untitled
 
3 Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik.
New and efficient implementation of CC3. Journal of Chemical Theory and Computation 2021 ;Volume 17. p. 117-126
NTNU Untitled
 
4 Wolf, Thomas J. A.; Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Cryan, James P.; Berrah, Nora; Bucksbaum, Philip H.; Coriani, Sonia; Coslovich, Giacomo; Feifel, Raimund; Martinez, Todd J.; Moeller, Stefan P.; Mucke, Melanie; Obaid, Razib; Plekan, Oksana; Squibb, Richard; Koch, Henrik; Gühr, Markus.
Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions 2021 ;Volume 228. p. 555-570
NTNU Untitled
 
2020
5 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 ;Volume 152.(18) p. 184103-184103-13
NTNU Untitled
 
6 Koch, Henrik; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Folkestad, Sarai Dery; Giovannini, Tommaso; Goletto, Linda; Haugland, Tor Strømsem; Hutcheson, Anders; Høyvik, Ida-Marie; Kjønstad, Eirik Fadum; Moitra, Torsha; Myhre, Rolf Heilemann; Paul, Alexander Christian; Roet, Sander; Scavino, Marco; Skeidsvoll, Andreas Sæther; Tveten, Åsmund.
eT - an electronic structure program. https://gitlab.com/eT-program/eT https://gitlab.com/eT-program/eT 2020
NTNU Untitled
 
2019
7 Carbone, Johanna P; Cheng, Lan; Myhre, Rolf Heilemann; Matthews, Devin A; Koch, Henrik; Coriani, Sonia.
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets. Advances in Quantum Chemistry 2019 ;Volume 79. p. 241-261
NTNU Untitled
 
8 Lengyel, Jozef; Ryding, Mauritz Johan Olof; Myhre, Rolf Heilemann; Uggerud, Einar.
Reactions of microhydrated ozonide with methyl chloride. International Journal of Mass Spectrometry 2019 ;Volume 435. p. 129-135
UiO Untitled
 
9 Myhre, Rolf Heilemann; Coriani, Sonia; Koch, Henrik.
X-ray and UV spectra of glycine within coupled cluster linear response theory. Journal of Physical Chemistry A 2019 ;Volume 123.(45) p. 9701-9711
NTNU UiO Untitled
 
10 Wolf, Thomas J. A.; Parrish, Robert M; Myhre, Rolf Heilemann; Martinez, Todd J.; Koch, Henrik; Gühr, Marcus.
Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy. Journal of Physical Chemistry A 2019 ;Volume 123.(32) p. 6897-6903
NTNU Untitled
 
2018
11 Heilemann Myhre, Rolf.
Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction. Journal of Chemical Physics 2018 ;Volume 148.(9) p. 094110-1-094110-6
UiO Untitled
 
12 Heilemann Myhre, Rolf; Wolf, Thomas J.A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Marcus; Koch, Henrik.
A theoretical and experimental benchmark study of core-excited states in nitrogen. Journal of Chemical Physics 2018 ;Volume 148:064106.(6) Suppl. https://aip.scitatio p. 1-8
NTNU UiO Untitled
 
2017
13 Høyvik, Ida-Marie; Heilemann Myhre, Rolf; Koch, Henrik.
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models. Journal of Chemical Physics 2017 ;Volume 146.(14)
UiO NTNU Untitled
 
14 J. A. Wolf, Thomas; Heilemann Myhre, Rolf; P. Cryan, James; Coriani, Sonia; Squibb, Richard; Battistoni, Andrea; Berrah, Nora; Bostedt, Christoph; Bucksbaum, Phil; Coslovich, Giacomo; Feifel, Raimund; J. Gaffney, Kelly; Grilj, Jakob; Martinez, Todd J.; Miyabe, Shungo; Moeller, Stefan P.; Mucke, Melanie; Natan, Adi; Obaid, Razid; Osipov, Timur; Plekan, Oksana; Wang, Song; Koch, Henrik; Gühr, Markus.
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption. Nature Communications 2017 ;Volume 8.(1) p. -
NTNU Untitled
 
15 Kjønstad, Eirik Fadum; Heilemann Myhre, Rolf; Martinez, Todd J.; Koch, Henrik.
Crossing conditions in coupled cluster theory. Journal of Chemical Physics 2017 ;Volume 147.(16)
NTNU Untitled
 
2016
16 Coriani, Sonia; Cukras, Janusz; Myhre, Rolf Heilemann; Koch, Henrik.
Coupled Cluster Studies of Photoionization, Photodetach- ment and X-ray Photoabsorption. Photoionization & Photodetachment Gordon Research Conference; 2016-02-07 - 2016-02-12
NTNU Untitled
 
17 Heilemann Myhre, Rolf; Coriani, Sonia; Koch, Henrik.
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory. Journal of Chemical Theory and Computation 2016 ;Volume 12.(6) p. 2633-2643
NTNU Untitled
 
18 Heilemann Myhre, Rolf; Koch, Henrik.
The multilevel CC3 coupled cluster model. Journal of Chemical Physics 2016 ;Volume 145:044111.(4) p. 1-10
NTNU Untitled
 
19 Myhre, Rolf Heilemann.
Multilevel coupled cluster theory. Trondheim: NTNU 2016 ;Volume 2016.242 p. Doktoravhandlinger ved NTNU(267)
NTNU Untitled
 
20 Wolf, Thomas J. A.; Battistoni, Andrea; Berrah, Nora; Bucksbaum, Philip H.; Coffee, Ryan; Coriani, Sonia; Coslovich, Giacomo; Cryan, James P.; Feifel, Raimund; Gaffney, Kelly; Grilj, Jakob; Koch, Henrik; Martinez, Todd J.; Moeller, S. P.; Mucke, Melanie; Myhre, Rolf Heilemann; Natan, Adi; Obaid, Razib; Osipov, Timur; Plekan, Oksana; Sage, Alexander; Squibb, Richard; Wang, S.; Gühr, Markus.
Elucidating the photoprotection mechanism of thymine by transient NEXAFS spectroscopy in the gas phase. Photoionization & Photodetachment Gordon Research Conference; 2016-02-07 - 2016-02-12
NTNU Untitled
 
2014
21 Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonja; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf Egil; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stine; Høyvik, Ida Marie; Iozzi, Maria Francesca; Jansik, Brannislav; Jensen, Hans-Jørgen Aa.; Jonsson, Dan Johan; Jørgensen, Poul; Kauczor, Johanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf Heilemann; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas Bondo; Provasi, Patricio F.; Reine, Simen Sommerfelt; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; Sanchez de Meras, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn Hykkerud; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans.
The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science 2014 ;Volume 4.(3) p. 269-284
NTNU UiT NR FFI UiO MET Untitled
 
22 Myhre, Rolf Heilemann; Sanchez De Meras, Alfredo M J; Koch, Henrik.
Multi-level coupled cluster theory. Journal of Chemical Physics 2014 ;Volume 141.(22)
NTNU Untitled
 
23 Skjelbred, Kristin Marie; Myhre, Rolf Heilemann; Koch, Henrik; de Merás, Alfredo Sánchez.
MLCC - Multi Level Coupled Cluster Theory. Norsk kjemisk selskaps landsmøte; 2014-10-29 - 2014-10-30
NTNU Untitled
 
2013
24 Koch, Henrik; Myhre, Rolf Heilemann; Hjertenæs, Eirik; Sánchez de Merás, Alfredo.
Multi-level Coupled Cluster Models. VALCA2013-Very accurate and large computations and applications 2013; 2013-06-09 - 2013-06-12
NTNU Untitled
 
25 Myhre, Rolf Heilemann; de Merás, Alfredo Sánchez; Koch, Henrik.
The extended CC2 model ECC2. Molecular Physics 2013 ;Volume 111.(9-11) p. 1109-1118
NTNU Untitled
 
26 Myhre, Rolf Heilemann.
Development and implementation of extended CC2 models. : NTNU, IKJ 2013 103 p.
NTNU Untitled