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Tidsskriftspublikasjoner
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Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik.
(2021)
A new and efficient implementation of CC3.
Journal of Chemical Theory and Computation.
vol. 17.
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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.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics.
vol. 152 (18).
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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.
(2020)
Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine.
Faraday discussions.
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Carbone, Johanna P;
Cheng, Lan;
Myhre, Rolf Heilemann;
Matthews, Devin A;
Koch, Henrik;
Coriani, Sonia.
(2019)
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets.
Advances in Quantum Chemistry.
vol. 79.
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Lengyel, Jozef;
Ryding, Mauritz Johan Olof;
Myhre, Rolf Heilemann;
Uggerud, Einar.
(2019)
Reactions of microhydrated ozonide with methyl chloride.
International Journal of Mass Spectrometry.
vol. 435.
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Myhre, Rolf Heilemann;
Coriani, Sonia;
Koch, Henrik.
(2019)
X-ray and UV spectra of glycine within coupled cluster linear response theory.
Journal of Physical Chemistry A.
vol. 123 (45).
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Wolf, Thomas J. A.;
Parrish, Robert M;
Myhre, Rolf Heilemann;
Martinez, Todd J.;
Koch, Henrik;
Gühr, Marcus.
(2019)
Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy.
Journal of Physical Chemistry A.
vol. 123 (32).
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Heilemann Myhre, Rolf.
(2018)
Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction.
Journal of Chemical Physics.
vol. 148 (9).
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Heilemann Myhre, Rolf;
Wolf, Thomas J.A.;
Cheng, Lan;
Nandi, Saikat;
Coriani, Sonia;
Gühr, Marcus;
Koch, Henrik.
(2018)
A theoretical and experimental benchmark study of core-excited states in nitrogen.
Journal of Chemical Physics.
vol. 148:064106 (6).
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Høyvik, Ida-Marie;
Heilemann Myhre, Rolf;
Koch, Henrik.
(2017)
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models.
Journal of Chemical Physics.
vol. 146 (14).
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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.
(2017)
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption.
Nature Communications.
vol. 8 (1).
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Kjønstad, Eirik Fadum;
Heilemann Myhre, Rolf;
Martinez, Todd J.;
Koch, Henrik.
(2017)
Crossing conditions in coupled cluster theory.
Journal of Chemical Physics.
vol. 147 (16).
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Heilemann Myhre, Rolf;
Coriani, Sonia;
Koch, Henrik.
(2016)
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.
Journal of Chemical Theory and Computation.
vol. 12 (6).
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Heilemann Myhre, Rolf;
Koch, Henrik.
(2016)
The multilevel CC3 coupled cluster model.
Journal of Chemical Physics.
vol. 145:044111 (4).
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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.
(2014)
The Dalton quantum chemistry program system.
Wiley Interdisciplinary Reviews. Computational Molecular Science.
vol. 4 (3).
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Myhre, Rolf Heilemann;
Sanchez De Meras, Alfredo M J;
Koch, Henrik.
(2014)
Multi-level coupled cluster theory.
Journal of Chemical Physics.
vol. 141 (22).
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Myhre, Rolf Heilemann;
de Merás, Alfredo Sánchez;
Koch, Henrik.
(2013)
The extended CC2 model ECC2.
Molecular Physics.
vol. 111 (9-11).
Rapport/avhandling
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Myhre, Rolf Heilemann;
Koch, Henrik.
(2016)
Multilevel coupled cluster theory.
2016. Doktoravhandlinger ved NTNU (267).
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Myhre, Rolf Heilemann;
Koch, Henrik.
(2013)
Development and implementation of extended CC2 models.
2013.