@article{UBHD-68930190,
  author={Bauer, Marco and Dempwolff, Adrian and Rehn, Dirk R. and Dreuw, Andreas},
  title={Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms},
  year={2022},
  pages={1-13},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 13.06.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0087173},
}
@article{UBHD-68796234,
  author={Brumboiu, Iulia Emilia and Rehn, Dirk R. and Dreuw, Andreas and Rhee, Young Min and Norman, Patrick},
  title={Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework},
  year={2021},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 03.11.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0058221},
}
@article{UBHD-68803376,
  author={Epifanovsky, Evgeny and Dempwolff, Adrian and Plasser, Felix and Rehn, Dirk R. and Herbst, Michael F. and Krauter, Caroline M. and Lefrancois, Daniel and Mewes, Jan-Michael and Mewes, Stefanie and Scheurer, Maximilian and Wenzel, Jan and Dreuw, Andreas},
  title={Software for the frontiers of quantum chemistry},
  subtitle={an overview of developments in the Q-Chem 5 package},
  year={2021},
  pages={1-60},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 19.11.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0055522},
}
@article{UBHD-69006679,
  author={Fedotov, Daniil A. and Scott, Mikael and Scheurer, Maximilian and Rehn, Dirk R. and Dreuw, Andreas and Coriani, Sonia},
  title={Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 16.01.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0123030},
}
@article{UBHD-68661722,
  author={Han, Jie and Rehn, Dirk R. and Buckup, Tiago and Dreuw, Andreas},
  title={Evaluation of single-reference DFT-based approaches for the calculation of spectroscopic signatures of excited states involved in singlet fission},
  year={2020},
  pages={8446-8460},
  language={eng},
  issn={1520-5215},
  volume={124},
  number={41},
  note={Gesehen am 17.11.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.0c07236},
}
@article{UBHD-68466578,
  author={Hodecker, Manuel and Dempwolff, Adrian and Rehn, Dirk R. and Dreuw, Andreas},
  title={Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies},
  year={2019},
  pages={16 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 11.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5081663},
}
@article{UBHD-68468072,
  author={Hodecker, Manuel and Rehn, Dirk R. and Norman, Patrick and Dreuw, Andreas},
  title={Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities},
  year={2019},
  pages={11 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 16.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5081665},
}
@article{UBHD-68559621,
  author={Hodecker, Manuel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Hermitian second-order methods for excited electronic states},
  subtitle={unitary coupled cluster in comparison with algebraic-diagrammatic construction schemes},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={152(2020},
  note={Gesehen am 31.03.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5142354},
}
@article{UBHD-68556378,
  author={Hodecker, Manuel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Similarities and differences of the Lagrange formalism and the intermediate state representation in the treatment of molecular properties},
  year={2019},
  pages={15 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 27.03.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5093606},
}
@article{UBHD-68620394,
  author={Hodecker, Manuel and Thielen, Sebastian M. and Rehn, Dirk R. and Dreuw, Andreas},
  title={Third-order unitary coupled cluster (UCC3) for excited electronic states},
  subtitle={efficient implementation and benchmarking},
  year={2020},
  pages={3654-3663},
  language={eng},
  issn={1549-9626},
  volume={16},
  number={6},
  note={Gesehen am 23.07.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c00335},
}
@article{UBHD-68202945,
  author={Knippenberg, Stefan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas},
  title={Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach},
  subtitle={two-photon absorption spectra},
  year={2012},
  language={eng},
  issn={1089-7690},
  volume={136(2012},
  note={Gesehen am 18.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.3682324},
}
@article{UBHD-68961639,
  author={Kulahlioglu, Adem Halil and Rehn, Dirk R. and Dreuw, Andreas},
  title={Quantum Monte Carlo formulation of the second order algebraic diagrammatic construction},
  subtitle={toward a massively parallel correlated excited state method},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 07.09.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0071091},
}
@article{UBHD-68198757,
  author={Lefrancois, Daniel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator},
  year={2016},
  language={eng},
  issn={1089-7690},
  volume={145(2016},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4961298},
}
@article{UBHD-68556805,
  author={Orms, Natalie and Rehn, Dirk R. and Dreuw, Andreas and Krylov, Anna I.},
  title={Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis},
  subtitle={a uniform approach},
  year={2018},
  pages={638-648},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={2},
  note={Published: December 21, 2017 ; Gesehen am 24.03.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b01012},
}
@article{UBHD-69131716,
  author={Papapostolou, Antonia and Scheurer, Maximilian and Dreuw, Andreas and Rehn, Dirk R.},
  title={Responsefun},
  subtitle={fun with response functions in the algebraic diagrammatic construction framework},
  year={2023},
  pages={6375-6391},
  language={eng},
  issn={1549-9626},
  volume={19},
  number={18},
  note={Gesehen am 19.10.2023},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.3c00456},
}
@article{UBHD-68200725,
  author={Plasser, Felix and Thomitzni, Benjamin and Mewes, Stefanie and Wenzel, Jan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas},
  title={Statistical analysis of electronic excitation processes},
  subtitle={spatial location, compactness, charge transfer, and electron-hole correlation},
  year={2015},
  pages={1609-1620},
  language={eng},
  issn={1096-987X},
  volume={36},
  number={21},
  note={Gesehen am 12.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.23975},
}
@article{UBHD-68465756,
  author={Rehn, Dirk R. and Dreuw, Andreas},
  title={Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory},
  year={2019},
  pages={17 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 10.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5085117},
}
@book{UBHD-67928265,
  author={Rehn, Dirk R.},
  title={Development of quantum chemical methods for excited-state and response properties},
  address={Heidelberg},
  year={2015},
  pages={1 Online-Ressource (VII, 95, XIII Seiten)},
  language={eng},
  school={Dissertation,  Ruprecht-Karls-Universit{\"a}t Heidelberg,  2015},
  doi={10.11588/heidok.00019871},
  keywords={Quantenchemie / Angeregter Zustand / Gradient / Nichtlineare Spektroskopie / MP-St{\"o}rungstheorie},
  url={http://www.ub.uni-heidelberg.de/archiv/19871},
  library={UB},
}
@book{UBHD-67929370,
  author={Rehn, Dirk R.},
  title={Development of quantum chemical methods for excited-state and response properties},
  address={Heidelberg},
  year={2015},
  pages={VII, VI, 95, XIII Seiten},
  language={eng},
  school={Dissertation,  Universit{\"a}t Heidelberg,  2015},
  keywords={Quantenchemie / Angeregter Zustand / Gradient / Nichtlineare Spektroskopie / MP-St{\"o}rungstheorie},
  library={UB [Signatur: 2016 U 43]},
}
@article{UBHD-68201331,
  author={Rehn, Dirk R. and Dreuw, Andreas},
  title={Resonant inelastic X-ray scattering amplitudes and cross sections in the algebraic diagrammatic construction/intermediate state representation (ADC/ISR) approach},
  year={2017},
  pages={5552-5559},
  language={eng},
  issn={1549-9626},
  volume={13},
  number={11},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b00636},
}
@article{UBHD-69313251,
  author={Rehn, Dirk R. and Fink, Andreas and Dempwolff, Adrian and Dreuw, Andreas},
  title={Analytical gradients for electron-attached and ionized states for the algebraic-diagrammatic construction scheme for the electron propagator up to third order},
  year={2024},
  pages={8795-8802},
  language={eng},
  issn={1520-5215},
  volume={128},
  note={Gesehen am 27.02.2025},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.4c04435},
}
@article{UBHD-69066003,
  author={Rehn, Dirk R. and Rinkevicius, Zilvinas and Herbst, Michael F. and Li, Xin and Scheurer, Maximilian and Brand, Manuel and Dempwolff, Adrian and Brumboiu, Iulia E. and Fransson, Thomas and Dreuw, Andreas and Norman, Patrick},
  title={Gator},
  subtitle={a Python-driven program for spectroscopy simulations using correlated wave functions},
  year={2021},
  pages={1-12},
  language={eng},
  issn={1759-0884},
  volume={11},
  note={Gesehen am 17.04.2023},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1528},
  url={https://doi.org/10.1002/wcms.1528},
  library={UB},
}
@article{UBHD-68646197,
  author={Scheurer, Maximilian and Fransson, Thomas and Norman, Patrick and Dreuw, Andreas and Rehn, Dirk R.},
  title={Complex excited state polarizabilities in the ADC/ISR framework},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 08.10.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0012120},
}
@article{UBHD-69153294,
  author={Schneider, Friederike and Papapostolou, Antonia and Leitner, Jonas and Rehn, Dirk R. and Dreuw, Andreas},
  title={Cotton-Mouton effect using algebraic diagrammatic construction schemes in the intermediate state representation formalism},
  year={2023},
  pages={8723-8733},
  language={eng},
  issn={1520-5215},
  volume={127},
  number={41 vom: Okt.},
  note={Online ver{\"o}ffentlicht: 10. Oktober 2023 ; Gesehen am 15.12.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.3c04963},
}
@article{UBHD-68766206,
  author={Scott, Mikael and Rehn, Dirk R. and Norman, Patrick and Dreuw, Andreas},
  title={Ab initio excited-state electronic circular dichroism spectra exploiting the third-order algebraic-diagrammatic construction scheme for the polarization propagator},
  year={2021},
  pages={5132-5137},
  language={eng},
  issn={1948-7185},
  volume={12},
  number={21 vom: 25. Mai},
  note={Published online 25 May 2021 ; Published in issue 3 June 2021 ; Gesehen am 02.08.2021},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.1c00839},
}
@article{UBHD-68723981,
  author={Scott, Mikael and Rehn, Dirk R. and Coriani, Sonia and Norman, Patrick and Dreuw, Andreas},
  title={Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order},
  year={2021},
  pages={1-17},
  language={eng},
  issn={1089-7690},
  volume={154},
  note={Gesehen am 22.07.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0038315},
}
@article{UBHD-68201292,
  author={Shao, Yihan and Wormit, Michael and Harbach, Philipp H. P. and Krauter, Caroline M. and Rehn, Dirk R. and Wenzel, Jan and Dreuw, Andreas},
  title={Advances in molecular quantum chemistry contained in the Q-Chem 4 program package},
  year={2015},
  pages={184-215},
  language={eng},
  issn={1362-3028},
  volume={113},
  number={2},
  note={Published online: 03 Sep 2014 ; Gesehen am 13.12.2017},
  journal={Molecular physics},
  doi={10.1080/00268976.2014.952696},
}
@article{UBHD-68739921,
  author={Thielen, Sebastian M. and Hodecker, Manuel and Piazolo, Julia and Rehn, Dirk R. and Dreuw, Andreas},
  title={Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra},
  year={2021},
  pages={1-8},
  language={eng},
  issn={1089-7690},
  volume={154},
  note={Gesehen am 20.05.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0047134},
}
@article{UBHD-68202309,
  author={Wormit, Michael and Rehn, Dirk R. and Harbach, Philipp H. P. and Wenzel, Jan and Krauter, Caroline M. and Dreuw, Andreas},
  title={Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator},
  year={2014},
  pages={774-784},
  language={eng},
  issn={1362-3028},
  volume={112},
  number={5-6},
  note={Published online: 28 Oct 2013 ; Gesehen am 15.12.2017},
  journal={Molecular physics},
  doi={10.1080/00268976.2013.859313},
}