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• englisch (29)

• Dreuw, Andreas (27)
• Hodecker, Manuel (6)
• Scheurer, Maximilian (5)
• Dempwolff, Adrian (5)
• Wormit, Michael (1977-2015) (4)
• Wenzel, Jan (3)
• Scott, Mikael (3)

• Harbach, Philipp H. P. (2)
• Krauter, Caroline M. (2)
• Fransson, Thomas (2)
• Thielen, Sebastian M. (2)
• Papapostolou, Antonia (2)
• Plasser, Felix (1)
• Mewes, Stefanie (1)
• Buckup, Tiago (1)
• Lefrancois, Daniel (1)
• Han, Jie (1)
• Thomitzni, Benjamin (1)
• Bauer, Marco (1)
• Kulahlioglu, Adem Halil (1)
• Schneider, Friederike (1)
• Leitner, Jonas (1)

• Norman, Patrick (4)
• Norman, Patrick (2)
• Coriani, Sonia (2)
• Mewes, Jan-Michael (1)
• Knippenberg, Stefan (1)
• Shao, Yihan (1)
• Epifanovsky, Evgeny (1)

• Herbst, Michael F. (1)
• Orms, Natalie (1)
• Krylov, Anna I. (1)
• Rinkevicius, Zilvinas (1)
• Brand, Manuel (1)
• Piazolo, Julia (1)
• Brumboiu, Iulia E. (1)
• Brumboiu, Iulia Emilia (1)
• Rhee, Young Min (1)
• Herbst, Michael F. (1)
• Fedotov, Daniil A. (1)
• Li, Xin (1)
• Fink, Andreas (1)

Publikationen 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
• Schneider, Friederike: Cotton-Mouton effect using algebraic diagrammatic construction schemes in the intermediate state representation formalism / Friederike Schneider, Antonia Papapostolou, Jonas Leitner, Dirk R. Rehn, and Andreas Dreuw, 19 October 2023. - 11 S. : Illustrationen
  In: The journal of physical chemistry, ISSN 1520-5215. 127(2023), 41 vom: Okt., Seite 8723-8733
  DOI: 10.1021/acs.jpca.3c04963
• Papapostolou, Antonia: Responsefun : fun with response functions in the algebraic diagrammatic construction framework / Antonia Papapostolou, Maximilian Scheurer, Andreas Dreuw, and Dirk R. Rehn, September 7, 2023. - 17 S. : Illustrationen
  In: Journal of chemical theory and computation, ISSN 1549-9626. 19(2023), 18, Seite 6375-6391
  DOI: 10.1021/acs.jctc.3c00456
• Fedotov, Daniil A.: Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order / Daniil A. Fedotov, Mikael Scott, Maximilian Scheurer, Dirk R. Rehn, Andreas Dreuw, and Sonia Coriani, 3 November 2022. - 14 S.
  In: The journal of chemical physics, ISSN 1089-7690. 157(2022), 17, Artikel-ID 174109, Seite 1-14
  DOI: 10.1063/5.0123030
• Kulahlioglu, Adem Halil: Quantum Monte Carlo formulation of the second order algebraic diagrammatic construction : toward a massively parallel correlated excited state method / Adem Halil Kulahlioglu, Dirk Rehn, and Andreas Dreuw, 24 January 2022. - 14 S.
  In: The journal of chemical physics, ISSN 1089-7690. 156(2022), 4, Artikel-ID 044105, Seite 1-14
  DOI: 10.1063/5.0071091
• 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
• 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
• Brumboiu, Iulia Emilia: Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework / Iulia Emilia Brumboiu, Dirk R. Rehn, Andreas Dreuw, Young Min Rhee, and Patrick Norman, 29 July 2021. - 16 S.
  In: The journal of chemical physics, ISSN 1089-7690. 155(2021), 4, Artikel-ID 044106, Seite 1-16
  DOI: 10.1063/5.0058221
• Scott, Mikael: Ab initio excited-state electronic circular dichroism spectra exploiting the third-order algebraic-diagrammatic construction scheme for the polarization propagator / Mikael Scott, Dirk R. Rehn, Patrick Norman, and Andreas Dreuw, May 25, 2021. - 6 S.
  In: The journal of physical chemistry letters, ISSN 1948-7185. 12(2021), 21 vom: 25. Mai, Seite 5132-5137
  DOI: 10.1021/acs.jpclett.1c00839
• Thielen, Sebastian M.: Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra / Sebastian M. Thielen, Manuel Hodecker, Julia Piazolo, Dirk R. Rehn, and Andreas Dreuw, 20 April 2021. - 8 S.
  In: The journal of chemical physics, ISSN 1089-7690. 154(2021), 15, Artikel-ID 154108, Seite 1-8
  DOI: 10.1063/5.0047134
• Scott, Mikael: Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order / Mikael Scott, Dirk R. Rehn, Sonia Coriani, Patrick Norman, and Andreas Dreuw, 11 February 2021. - 17 S.
  In: The journal of chemical physics, ISSN 1089-7690. 154(2021), 6, Artikel-ID 064107, Seite 1-17
  DOI: 10.1063/5.0038315
• Han, Jie: Evaluation of single-reference DFT-based approaches for the calculation of spectroscopic signatures of excited states involved in singlet fission / Jie Han, Dirk Robert Rehn, Tiago Buckup, and Andreas Dreuw, September 21, 2020. - 15 S.
  In: The journal of physical chemistry, ISSN 1520-5215. 124(2020), 41, Seite 8446-8460
  DOI: 10.1021/acs.jpca.0c07236
• Scheurer, Maximilian: Complex excited state polarizabilities in the ADC/ISR framework / Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, and Dirk R. Rehn, 21 August 2020. - 12 S.
  In: The journal of chemical physics, ISSN 1089-7690. 153(2020,7) Artikel-Nummer 074112, 12 Seiten
  DOI: 10.1063/5.0012120
• Hodecker, Manuel: Third-order unitary coupled cluster (UCC3) for excited electronic states : efficient implementation and benchmarking / Manuel Hodecker, Sebastian M. Thielen, Junzi Liu, Dirk R. Rehn, and Andreas Dreuw, 12 May 2020. - 10 S.
  In: Journal of chemical theory and computation, ISSN 1549-9626. 16(2020), 6, Seite 3654-3663
  DOI: 10.1021/acs.jctc.0c00335
• Hodecker, Manuel: Hermitian second-order methods for excited electronic states : unitary coupled cluster in comparison with algebraic-diagrammatic construction schemes / Manuel Hodecker, Dirk R. Rehn and Andreas Dreuw, 02 March 2020. - 12 S.
  In: The journal of chemical physics, ISSN 1089-7690. 152(2020,9) Artikel-Nummer 094106, 12 Seiten
  DOI: 10.1063/1.5142354
• Hodecker, Manuel: Similarities and differences of the Lagrange formalism and the intermediate state representation in the treatment of molecular properties / Manuel Hodecker, Dirk R. Rehn, Andreas Dreuw, and Sebastian Höfener, 30 April 2019. - 15 S.
  In: The journal of chemical physics, ISSN 1089-7690. 150(2019,16) Artikel-Nummer 164125, 15 Seiten
  DOI: 10.1063/1.5093606
• Hodecker, Manuel: Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities / Manuel Hodecker, Dirk R. Rehn, Patrick Norman, and Andreas Dreuw, 01 May 2019. - 11 S.
  In: The journal of chemical physics, ISSN 1089-7690. 150(2019,17) Artikel-Nummer 174105, 11 Seiten
  DOI: 10.1063/1.5081665
• 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
• Rehn, Dirk R.: Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory / Dirk R. Rehn, and Andreas Dreuw, 06 May 2019. - 17 S.
  In: The journal of chemical physics, ISSN 1089-7690. 150(2019,17) Artikel-Nummer 174110, 17 Seiten
  DOI: 10.1063/1.5085117
• Orms, Natalie: Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis : a uniform approach / Natalie Orms, Dirk R. Rehn, Andreas Dreuw, and Anna I. Krylov, [2018]. - 11 S. : Illustrationen
  In: Journal of chemical theory and computation, ISSN 1549-9626. 14(2018), 2, Seite 638-648
  DOI: 10.1021/acs.jctc.7b01012
• Rehn, Dirk R.: Resonant inelastic X-ray scattering amplitudes and cross sections in the algebraic diagrammatic construction/intermediate state representation (ADC/ISR) approach / Dirk R. Rehn, Andreas Dreuw, and Patrick Norman. - 8 S.
  In: Journal of chemical theory and computation, ISSN 1549-9626. 13(2017), 11, S. 5552-5559
  DOI: 10.1021/acs.jctc.7b00636
• Lefrancois, Daniel: Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator / Daniel Lefrancois, Dirk R. Rehn, and Andreas Dreuw
  In: The journal of chemical physics, ISSN 1089-7690. 145(2016,8) Artikelnummer 084102, 8 Seiten
  DOI: 10.1063/1.4961298
• Shao, Yihan: Advances in molecular quantum chemistry contained in the Q-Chem 4 program package / Yihan Shao, Zhengting Gan, Evgeny Epifanovsky, Andrew T.B. Gilbert, Michael Wormit, Joerg Kussmann, … , 2015. - 32 S.
  In: Molecular physics, ISSN 1362-3028. 113(2015), 2, Seite 184-215
  DOI: 10.1080/00268976.2014.952696
• Plasser, Felix: Statistical analysis of electronic excitation processes : spatial location, compactness, charge transfer, and electron-hole correlation / Felix Plasser, Benjamin Thomitzni, Stefanie A. Bäppler, Jan Wenzel, Dirk R. Rehn, Michael Wormit, an… , 29 June 2015. - 12 S.
  In: Journal of computational chemistry, ISSN 1096-987X. 36(2015), 21, Seite 1609-1620
  DOI: 10.1002/jcc.23975
• Rehn, Dirk R.: Development of quantum chemical methods for excited-state and response properties / vorgelegt von Dirk Robert Rehn, M.Sc aus Offenbach am Main ; Gutachter: Prof. Dr. Andreas Dreuw. -
  Heidelberg, 2015. - VII, VI, 95, XIII Seiten : Illustrationen, Diagramme
• Rehn, Dirk R.: Development of quantum chemical methods for excited-state and response properties / vorgelegt von Dirk Robert Rehn, M.Sc aus Offenbach am Main ; Gutachter: Prof. Dr. Andreas Dreuw. -
  Heidelberg, 2015. - 1 Online-Ressource (VII, 95, XIII Seiten)
  DOI: 10.11588/heidok.00019871
• Wormit, Michael: Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator / Michael Wormit, Dirk R. Rehn, Philipp H.P. Harbach, Jan Wenzel, Caroline M. Krauter, Evgeny Epifanov… , 04 Mar 2014. - 11 S.
  In: Molecular physics, ISSN 1362-3028. 112(2014), 5-6, Seite 774-784
  DOI: 10.1080/00268976.2013.859313
• Knippenberg, Stefan: Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach : two-photon absorption spectra / S. Knippenberg, D.R. Rehn, M. Wormit, J.H. Starcke, I.L. Rusakova, A.B. Trofimov, and A. Dreuw
  In: The journal of chemical physics, ISSN 1089-7690. 136(2012,15) Artikelnummer 064107, 15 Seiten
  DOI: 10.1063/1.3682324

IDs

GND:	1081522836

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