2022

• Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Koch, Henrik. (2022) Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3. Journal of Chemical Theory and Computation
  Academic article
• Skeidsvoll, Andreas Sæther; Moitra, Torsha; Balbi, Alice; Paul, Alexander Christian; Coriani, Sonia; Koch, Henrik. (2022) Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory. Physical Review A (PRA)
  Academic article
• Moitra, Torsha; Paul, Alexander Christian; Decleva, Piero; Koch, Henrik; Coriani, Sonia. (2022) Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum. Physical Chemistry, Chemical Physics - PCCP
  Academic article
• Fedotov, Daniil; Paul, Alexander Christian; Koch, Henrik; Santoro, Fabrizio; Coriani, Sonia; Improta, Roberto. (2022) Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study. Physical Chemistry, Chemical Physics - PCCP
  Academic article

2021

• Wolf, Thomas J. A.; Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Cryan, James P.; Berrah, Nora. (2021) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine . Faraday discussions
  Academic article
• Fedotov, Daniil; Paul, Alexander Christian; Posocco, Paolo; Santoro, Fabrizio; Garavelli, Marco; Koch, Henrik. (2021) Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. Journal of Chemical Theory and Computation
  Academic article
• Epifanovsky, Evgeny; Gilbert, Andrew; Feng, Xintian; Lee, Joonho; Mao, Yuezhi; Mardirossian, Narbe. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. Journal of Chemical Physics
  Academic article
• Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik. (2021) New and efficient implementation of CC3. Journal of Chemical Theory and Computation
  Academic article
• Hutcheson, Anders; Paul, Alexander Christian; Myhre, Rolf Heilemann; Koch, Henrik; Høyvik, Ida-Marie. (2021) Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models. Journal of Computational Chemistry
  Academic article
• Hohenstein, Edward G; Yu, Jimmy; Bannwarth, Christoph; Holmgaard List, Nanna; Paul, Alexander Christian; Folkestad, Sarai Dery. (2021) Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory. Journal of Chemical Theory and Computation
  Academic article

2020

• Koch, Henrik; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Folkestad, Sarai Dery; Giovannini, Tommaso. (2020) eT - an electronic structure program.
  Software
• Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia. (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics
  Academic article
• Dempwolff, Adrian L.; Paul, Alexander Christian; Belogolova, Alexandra M.; Trofimov, Alexander B.; Dreuw, Andreas. (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation. Journal of Chemical Physics
  Academic article
• Dempwolff, Adrian L.; Paul, Alexander Christian; Belogolova, Alexandra M.; Trofimov, Alexander B.; Dreuw, Andreas. (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking. Journal of Chemical Physics
  Academic article