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Publications in heiBIB     

• Rehn, Dirk R.: Analytical gradients for electron-attached and ionized states for the algebraic-diagrammatic construction scheme for the electron propagator up to third order / Dirk R. Rehn, Andreas Fink, Adrian L. Dempwolff, Andreas Dreuw, 25 September 2024. - 8 S.
  In: The journal of physical chemistry, ISSN 1520-5215. 128(2024), 40, special issue, Seite 8795-8802
  DOI: 10.1021/acs.jpca.4c04435
• Leitner, Jonas: Fourth-order algebraic diagrammatic construction for electron detachment and attachment : the IP- and EA-ADC(4) methods / Jonas Leitner, Adrian L. Dempwolff, and Andreas Dreuw, 12 September 2024. - 11 S. : Illustrationen
  In: The journal of physical chemistry, ISSN 1520-5215. 128(2024), 36 vom: Sept., Seite 7680-7690
  DOI: 10.1021/acs.jpca.4c03037
• Dreuw, Andreas: Algebraic diagrammatic construction schemes employing the intermediate state formalism : theory, capabilities, and interpretation / Andreas Dreuw, Antonia Papapostolou, and Adrian L. Dempwolff, 17 August 2023. - 12 S.
  In: The journal of physical chemistry, ISSN 1520-5215. 127(2023), 32 vom: Aug., Seite 6635-6646
  DOI: 10.1021/acs.jpca.3c02761
• Leitner, Jonas: The fourth-order algebraic diagrammatic construction scheme for the polarization propagator / J. Leitner, A.L. Dempwolff, A. Dreuw, 8 November 2022. - 15 S.
  In: The journal of chemical physics, ISSN 1089-7690. 157(2022), 18, Artikel-ID 184101, Seite 1-15
  DOI: 10.1063/5.0123814
• Bauer, Marco: Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms / Marco Bauer, Adrian L. Dempwolff, Dirk R. Rehn, and Andreas Dreuw, 12 April 2022. - 13 S.
  In: The journal of chemical physics, ISSN 1089-7690. 156(2022), 14, Artikel-ID 144101, Seite 1-13
  DOI: 10.1063/5.0087173
• Hodecker, Manuel: Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization / Manuel Hodecker, Adrian L. Dempwolff, Jochen Schirmer, and Andreas Dreuw, 16 February 2022. - 17 S.
  In: The journal of chemical physics, ISSN 1089-7690. 156(2022), 7, Artikel-ID 074104, Seite 1-17
  DOI: 10.1063/5.0070967
• Dempwolff, Adrian: Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods / Adrian L. Dempwolff, Manuel Hodecker, and Andreas Dreuw, 4 February 2022. - 8 S.
  In: The journal of chemical physics, ISSN 1089-7690. 156(2022), 5, Artikel-ID 054114, Seite 1-8
  DOI: 10.1063/5.0079047
• Rehn, Dirk R.: Gator : a Python-driven program for spectroscopy simulations using correlated wave functions / Dirk R. Rehn, Zilvinas Rinkevicius, Michael F. Herbst, Xin Li, Maximilian Scheurer, Manuel Brand, Ad… , 2021. - 12 S.
  In: Wiley interdisciplinary reviews, ISSN 1759-0884. 11(2021), 6, Artikel-ID e1528, Seite 1-12
  DOI: 10.1002/wcms.1528
• Epifanovsky, Evgeny: Software for the frontiers of quantum chemistry : an overview of developments in the Q-Chem 5 package / Evgeny Epifanovsky, Adrian Dempwolff, Dirk R. Rehn, Maximilian Scheurer, Andreas Dreuw [und viele we… , 23 August 2021. - 60 S.
  In: The journal of chemical physics, ISSN 1089-7690. 155(2021), 8, Artikel-ID 084801, Seite 1-60
  DOI: 10.1063/5.0055522
• Dempwolff, Adrian: CAP/EA-ADC method for metastable anions : computational aspects and application to π* resonances of norbornadiene and 1,4-cyclohexadiene / Adrian L. Dempwolff, Alexandra M. Belogolova, Thomas Sommerfeld, Alexander B. Trofimov and Andreas D… , 2 August 2021. - 13 S.
  In: The journal of chemical physics, ISSN 1089-7690. 155(2021), 5, Artikel-ID 054103, Seite 1-13
  DOI: 10.1063/5.0057737
• Dempwolff, Adrian: Intermediate state representation approach to physical properties of molecular electron-attached states : theory, implementation, and benchmarking / Adrian L. Dempwolff, Alexandra M. Belogolova, Alexander B. Trofimov, and Andreas Dreuw, 10 March 2021. - 17 S.
  In: The journal of chemical physics, ISSN 1089-7690. 154(2021), 10, Artikel-ID 104117, Seite 1-17
  DOI: 10.1063/5.0043337
• Dempwolff, Adrian: Development and implementation of high-level propagator methods for the description of electronically stable and unstable states / vorgelegt von Adrian Ludwig Dempwolff, Diplom-Chemiker ; Gutachter: Andreas Dreuw [und ein weiterer… . -
  Heidelberg, Februar 2020. - X, 167 Seiten : Illustrationen, Diagramme
• List, Nanna H.: Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy / Nanna H. List, Adrian L. Dempwolff, Andreas Dreuw, Patrick Norman, Todd J. Martínez, 25 Mar 2020. - 14 S.
  In: Chemical science, ISSN 2041-6539. 11(2020), 16, Seite 4180-4193
  DOI: 10.1039/D0SC00840K
• Dempwolff, Adrian: Development and implementation of high-level propagator methods for the description of electronically stable and unstable states / vorgelegt von Adrian Ludwig Dempwolff, Diplom-Chemiker aus Celle ; Gutachter: Andreas Dreuw [und ei… . -
  Heidelberg: Ruprecht-Karls-Universität Heidelberg, 2020. - 1 Online-Ressource (X, 167 Seiten)
  DOI: 10.11588/heidok.00027970
• Dempwolff, Adrian: Intermediate state representation approach to physical properties of molecular electron-detached states - II. Benchmarking / Adrian L. Dempwolff, Alexander C. Paul, Alexandra M. Belogolova, Alexander B. Trofimov, and Andreas … , 14 January 2020. - 12 S. : Illustrationen
  In: The journal of chemical physics, ISSN 1089-7690. 152(2020,2) Artikel-Nummer 024125, Seite 1-12
  DOI: 10.1063/1.5137794
• Dempwolff, Adrian: Intermediate state representation approach to physical properties of molecular electron-detached states - I. Theory and implementation / Adrian L. Dempwolff, Alexander C. Paul, Alexandra M. Belogolova, Alexander B. Trofimov, and Andreas … , 10 January 2020. - 16 S. : Illustrationen
  In: The journal of chemical physics, ISSN 1089-7690. 152(2020,2) Artikel-Nummer 024113, Seite 1-16
  DOI: 10.1063/1.5137792
• Hodecker, Manuel: Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies / Manuel Hodecker, Adrian L. Dempwolff, Dirk R. Rehn, and Andreas Dreuw, 01 May 2019. - 16 S.
  In: The journal of chemical physics, ISSN 1089-7690. 150(2019,17) Artikel-Nummer 174104, 16 Seiten
  DOI: 10.1063/1.5081663
• Dempwolff, Adrian: Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules / Adrian L. Dempwolff, Matthias Schneider, Manuel Hodecker, and Andreas Dreuw, 13 February 2019. - 10 S.
  In: The journal of chemical physics, ISSN 1089-7690. 150(2019,6) Artikel-Nummer 064108, 10 Seiten
  DOI: 10.1063/1.5081674

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