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For å registrere i Cristin må du være vitenskapelig eller administrativt ansatt.
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2020
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| 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; 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 |
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2019
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| 2. | 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 ;Volum 79. s. 241-261 NTNU |
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| 3. | 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 |
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| 4. | 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 |
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| 5. | Folkestad, Sarai Dery; Koch, Henrik. Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbital. Journal of Chemical Theory and Computation 2019 (16) s. 179-189 NTNU |
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| 6. | Folkestad, Sarai Dery; Koch, Henrik. Performance of MLCC2 and MLCCSD. NKS Quantum Chemistry Meeting; 2019-10-08 - 2019-10-09 NTNU |
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| 7. | 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 |
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| 8. | 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 ;Volum 123.(45) s. 9701-9711 NTNU UiO |
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| 9. | 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 ;Volum 123.(32) s. 6897-6903 NTNU |
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2018
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| 10. | Fales, B Scott; Seritan, Stefan; Settje, Nick F; Levine, Benjamin G; Koch, Henrik; Martinez, Todd J.. Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction. Journal of Chemical Theory and Computation 2018 ;Volum 14.(8) s. 4139-4150 NTNU |
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| 11. | 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 |
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| 12. | Haghdani, Shokouh. Optical rotation from coupled cluster and density functional theories. Trondheim: NTNU 2018 (ISBN 978-82-326-2860-5) ;Volum 2018.128 s. Doktoravhandlinger ved NTNU(31) NTNU |
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| 13. | 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 ;Volum 148:064106.(6) Suppl. https://aip.scitatio s. 1-8 NTNU UiO |
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2017
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| 14. | Folkestad, Sarai Dery; Høyvik, Ida-Marie; Koch, Henrik. Multilevel coupled cluster theory for valence and core excited states. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry; 2017-08-27 - 2017-09-01 NTNU |
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| 15. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles. Journal of Physical Chemistry A 2017 ;Volum 121.(5) s. 4765-4777 NTNU |
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| 16. | 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 ;Volum 146.(14) NTNU UiO |
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| 17. | 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 ;Volum 8.(1) s. - NTNU |
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| 18. | 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 |
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| 19. | 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 |
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| 20. | Koch, Henrik. A Single Electron's Tiny Leap Sets Off 'Molecular Sunscreen' Response. Newswise.com [Internett] 2017-06-22 NTNU |
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| 21. | Sæther, Sandra; Kjærgaard, Thomas; Koch, Henrik; Høyvik, Ida-Marie. Density-Based Multilevel Hartree-Fock Model. Journal of Chemical Theory and Computation 2017 ;Volum 13.(11) s. 5282-5290 NTNU |
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| 22. | Vinje, Jakob; Falck, Merete; Mazzola, Federico; Cooil, Simon Phillip; Koch, Henrik; Høyvik, Ida-Marie; Wells, Justin. Tautomerization of thymine using ultraviolet light. Langmuir 2017 ;Volum 33.(38) s. 9666-9672 NTNU |
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2016
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| 23. | 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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| 24. | Dundas, Karen Oda Hjorth. Density-Based Formulation of Multi-Level Hartree-Fock Theory. : NTNU, IKJ 2016 51 s. NTNU |
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| 25. | Falck, Merete. A Study of Thymine to Support Experimentalists. : NTNU-IKJ 2016 102 s. NTNU |
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| 26. | Haghdani, Shokouh; Gautun, Odd Reidar; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for a Set of Pyrrole Compounds. Journal of Physical Chemistry A 2016 ;Volum 120. s. 7351-7360 NTNU |
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| 27. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Implicit and Explicit Solvent Effects on Optical Rotation for Molecules with Internal Hydrogen Bonds. 6th EuCheMs Chemistry Congress; 2016-09-11 - 2016-09-15 NTNU |
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| 28. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for a Group of Fluorinated Alcohols and Amines. 17th Tetrahedron Symposium; 2016-06-28 - 2017-07-01 NTNU |
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| 29. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters. Journal of Physical Chemistry A 2016 ;Volum 120.(40) s. 7973-7986 NTNU |
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| 30. | Haghdani, Shokouh; Åstrand, Per-Olof; Koch, Henrik. Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence. Journal of Chemical Theory and Computation 2016 ;Volum 12. s. 535-548 NTNU |
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| 31. | 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 ;Volum 12.(6) s. 2633-2643 NTNU |
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| 32. | Heilemann Myhre, Rolf; Koch, Henrik. The multilevel CC3 coupled cluster model. Journal of Chemical Physics 2016 ;Volum 145:044111.(4) s. 1-10 NTNU |
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| 33. | Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes. ChemPhysChem 2016 ;Volum 17.(18) s. 2908-2915 NTNU SINTEF |
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| 34. | Hjertenæs, Eirik; Nguyen, Anh Quynh Ngoc; Koch, Henrik. A ReaxFF force field for sodium intrusion in graphitic cathodes. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(46) s. 31431-31440 NTNU |
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| 35. | Hjertenæs, Eirik; Trinh, Thuat; Koch, Henrik. Chemically accurate energy barriers of small gas molecules in through hexagonal water rings. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18. s. 17831-17835 NTNU |
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| 36. | Kjønstad, Eirik F.. Symmetric Coupled Cluster Theory. : NTNU-IKJ 2016 83 s. NTNU |
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| 37. | Kjønstad, Eirik. Symmetric Coupled Cluster Theory. : NTNU 2016 81 s. NTNU |
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| 38. | Myhre, Rolf Heilemann. Multilevel coupled cluster theory. Trondheim: NTNU 2016 ;Volum 2016.242 s. Doktoravhandlinger ved NTNU(267) NTNU |
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| 39. | Olsen, Gerhard Henning. Ferroelectric Tungsten Bronzes. Trondheim: Norwegian University of Science and Technology 2016 (ISBN 978-82-326-1812-5) 192 s. NTNU |
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| 40. | Stakvik, Linda. Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach. : NTNU, IKJ 2016 65 s. NTNU |
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| 41. | 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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2015
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| 42. | Coriani, Sonia; Koch, Henrik. Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework. Journal of Chemical Physics 2015 ;Volum 143.(18) s. - NTNU |
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| 43. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations of Fluorinated Alcohols and Amines. Annual Meeting in Quantum and Computational Chemistry; 2015-06-29 - 2015-06-30 NTNU |
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| 44. | Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof. Optical Rotation Calculations of Fluorinated Alcohols and Amines: The Role of Basis Set Convergence. 10th European Conference on Computational Chemistry (EuCO-CC 2015); 2015-08-31 - 2015-09-03 NTNU |
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| 45. | Mehandzhiyski, Aleksandar Yordanov; Riccardi, Enrico; van Erp, Titus Sebastiaan; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat; Grimes, Brian Arthur. Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A 2015 ;Volum 119.(40) s. 10195-10203 NTNU |
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2014
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| 46. | 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 ;Volum 4.(3) s. 269-284 FFI MET NR NTNU UiO UiT |
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| 47. | Egidi, Franco; Segado, Mireia; Koch, Henrik; Cappelli, Chiara; Barone, Vincenzo. A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule. Journal of Chemical Physics 2014 ;Volum 141.(22) NTNU |
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| 48. | Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Atomistic simulations in DuraMat. Project Meeting; 2014-05-22 - 2014-05-22 NTNU SINTEF |
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| 49. | Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. DFT calculations of sodium-PAH van der Waals-complexes. Project Meeting; 2014-10-28 - 2014-10-28 NTNU SINTEF |
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| 50. | Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik. Quantum chemical investigation of sodium diffusion through graphite. MOLEC 2014, European Conference on the Dynamics of Molecular Systems; 2014-08-24 - 2014-08-29 NTNU SINTEF |
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