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Showing results 1-26 of 26
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2022
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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
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2021
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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
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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
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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
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2020
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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
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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
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2019
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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
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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
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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
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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
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2018
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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
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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
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2017
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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
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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
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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
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2016
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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
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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
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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
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19. |
Myhre, Rolf Heilemann. Multilevel coupled cluster theory. Trondheim: NTNU 2016 ;Volume 2016.242 p. Doktoravhandlinger ved NTNU(267) NTNU
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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
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2014
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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
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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
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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
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2013
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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
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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
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26. |
Myhre, Rolf Heilemann. Development and implementation of extended CC2 models. : NTNU, IKJ 2013 103 p. NTNU
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