rolfheil

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Publications

  • Heilemann Myhre, Rolf (2018). Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction. Journal of Chemical Physics.  ISSN 0021-9606.  148(9), s 094110-1- 094110-6 . doi: 10.1063/1.5006160 Full text in Research Archive.
  • 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.  ISSN 0021-9606.  148:064106(6), s 1- 8 . doi: 10.1063/1.5011148 Full text in Research Archive.
  • 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.  ISSN 0021-9606.  146(14) . doi: 10.1063/1.4979908 Full text in Research Archive.
  • 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.  ISSN 2041-1723.  8(1) . doi: 10.1038/s41467-017-00069-7 Full text in Research Archive.
  • Kjønstad, Eirik Fadum; Heilemann Myhre, Rolf; Martinez, Todd J. & Koch, Henrik (2017). Crossing conditions in coupled cluster theory. Journal of Chemical Physics.  ISSN 0021-9606.  147(16) . doi: 10.1063/1.4998724 Full text in Research Archive.
  • 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.  ISSN 1549-9618.  12(6), s 2633- 2643 . doi: 10.1021/acs.jctc.6b00216
  • Heilemann Myhre, Rolf & Koch, Henrik (2016). The multilevel CC3 coupled cluster model. Journal of Chemical Physics.  ISSN 0021-9606.  145:044111(4), s 1- 10 . doi: 10.1063/1.4959373
  • 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.  ISSN 1759-0876.  4(3), s 269- 284 . doi: 10.1002/wcms.1172 Full text in Research Archive. Show summary
  • Myhre, Rolf Heilemann; Sanchez De Meras, Alfredo M J & Koch, Henrik (2014). Multi-level coupled cluster theory. Journal of Chemical Physics.  ISSN 0021-9606.  141(22) . doi: 10.1063/1.4903195
  • Myhre, Rolf Heilemann; de Merás, Alfredo Sánchez & Koch, Henrik (2013). The extended CC2 model ECC2. Molecular Physics.  ISSN 0026-8976.  111(9-11), s 1109- 1118 . doi: 10.1080/00268976.2013.798435

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  • Coriani, Sonia; Cukras, Janusz; Myhre, Rolf Heilemann & Koch, Henrik (2016). Coupled Cluster Studies of Photoionization, Photodetach- ment and X-ray Photoabsorption.
  • Myhre, Rolf Heilemann & Koch, Henrik (2016). Multilevel coupled cluster theory. Doktoravhandlinger ved NTNU. 267.
  • 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 (2016). Elucidating the photoprotection mechanism of thymine by transient NEXAFS spectroscopy in the gas phase. Show summary
  • Skjelbred, Kristin Marie; Myhre, Rolf Heilemann; Koch, Henrik & de Merás, Alfredo Sánchez (2014). MLCC - Multi Level Coupled Cluster Theory.
  • Koch, Henrik; Myhre, Rolf Heilemann; Hjertenæs, Eirik & Sánchez de Merás, Alfredo (2013). Multi-level Coupled Cluster Models.
  • Myhre, Rolf Heilemann & Koch, Henrik (2013). Development and implementation of extended CC2 models.

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Published Feb. 3, 2017 10:15 AM - Last modified Feb. 3, 2017 10:15 AM