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Viser treff 1-7 av 7

2021
1 Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik.
A new and efficient implementation of CC3. Journal of Chemical Theory and Computation 2021 ;Volum 17. s. 117-126
NTNU Untitled
 
2 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
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2020
3 Dempwolff, Adrian L.; Paul, Alexander Christian; Belogolova, Alexandra M.; Trofimov, Alexander B.; Dreuw, Andreas.
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation. Journal of Chemical Physics 2020 ;Volum 152.(2) s. 024113-1-024113-16
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4 Dempwolff, Adrian L.; Paul, Alexander Christian; Belogolova, Alexandra M.; Trofimov, Alexander B.; Dreuw, Andreas.
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking. Journal of Chemical Physics 2020 ;Volum 152.(2) s. 024125-1-024125-12
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5 Fedotov, Daniil; Paul, Alexander Christian; Posocco, Paolo; Santoro, Fabrizio; Garavelli, Marco; Koch, Henrik; Coriani, Sonia; Improta, Roberto.
Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. ChemRxiv 2020
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6 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 ;Volum 152.(18) s. 184103-184103-13
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7 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