@article{UBHD-68413899, author={Dempwolff, Adrian and Schneider, Matthias and Hodecker, Manuel and Dreuw, Andreas}, title={Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules}, year={2019}, pages={10 S.}, language={eng}, issn={1089-7690}, volume={150(2019}, note={Gesehen am 30.07.2019}, journal={The journal of chemical physics}, doi={10.1063/1.5081674}, } @article{UBHD-68895353, author={Dempwolff, Adrian and Hodecker, Manuel and Dreuw, Andreas}, title={Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods}, year={2022}, pages={1-8}, language={eng}, issn={1089-7690}, volume={156}, note={Gesehen am 17.03.2022}, journal={The journal of chemical physics}, doi={10.1063/5.0079047}, } @article{UBHD-68432590, author={Ganschow, Michael and Koser, Silke and Hodecker, Manuel and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.}, title={Azaacenes bearing five-membered rings}, year={2018}, pages={13667-13675}, language={eng}, issn={1521-3765}, volume={24}, number={51}, note={Gesehen am 24.09.2019}, journal={Chemistry - a European journal}, doi={10.1002/chem.201802900}, } @article{UBHD-68250045, author={Hahn, Sebastian and Koser, Silke and Hodecker, Manuel and Tverskoy, Olena and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.}, title={Alkyne-substituted N-heterophenes}, year={2017}, pages={8148-8151}, language={eng}, issn={1521-3765}, volume={23}, number={34}, note={Gesehen am 07.05.2018}, journal={Chemistry - a European journal}, doi={10.1002/chem.201701304}, } @article{UBHD-68422355, author={Hahn, Sebastian and Koser, Silke and Hodecker, Manuel and Seete, Pascal and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.}, title={Phenylene bridged cyclic azaacenes}, subtitle={dimers and trimers}, year={2018}, pages={6968-6974}, language={eng}, issn={1521-3765}, volume={24}, number={27}, note={Gesehen am 20.08.2019}, journal={Chemistry - a European journal}, doi={10.1002/chem.201705704}, } @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}, } @book{UBHD-68579246, author={Hodecker, Manuel}, title={Development and application of hermitian methods for molecular properties and excited electronic states}, address={Heidelberg}, year={2020}, pages={1 Online-Ressource (XII, 251 Seiten)}, language={eng}, school={Dissertation, Ruprecht–Karls-Universit{\"a}t, 2020}, doi={10.11588/heidok.00028275}, url={https://nbn-resolving.org/urn:nbn:de:bsz:16-heidok-282756}, library={UB}, } @book{UBHD-68618865, author={Hodecker, Manuel}, organization={Universit{\"a}t Heidelberg}, title={Development and application of hermitian methods for molecular properties and excited electronic states}, address={Heidelberg}, year={2020}, pages={XII, 251 Seiten}, language={eng}, school={Dissertation, Ruprecht-Karls-Universit{\"a}t Heidelberg, 2020}, library={UB [Signatur: 2020 U 433]}, } @article{UBHD-68791485, author={Hodecker, Manuel and Kozhemyakin, Yury and Weigold, Svenja and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.}, title={A doubly bridged bis(phenylethynyl)benzene}, subtitle={different from a twisted tolan}, year={2020}, pages={16990-16993}, language={eng}, issn={1521-3765}, volume={26}, number={71}, note={First published: 05 October 2020 ; Gesehen am 19.10.2021}, journal={Chemistry - a European journal}, doi={10.1002/chem.202002552}, url={https://doi.org/10.1002/chem.202002552}, library={UB}, } @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-68197491, author={Hodecker, Manuel and Dreuw, Andreas}, title={Simulation of vacuum UV absorption and electronic circular dichroism spectra of methyl oxirane}, subtitle={the role of vibrational effects}, year={2016}, pages={2820-2833}, language={eng}, issn={1549-9626}, volume={12}, number={6}, note={Gesehen am 04.12.2016}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.6b00121}, } @article{UBHD-68898690, author={Hodecker, Manuel and Dempwolff, Adrian and Schirmer, Jochen and Dreuw, Andreas}, title={Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization}, year={2022}, pages={1-17}, language={eng}, issn={1089-7690}, volume={156}, note={Gesehen am 23.03.2022}, journal={The journal of chemical physics}, doi={10.1063/5.0070967}, } @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-68619690, author={Hodecker, Manuel and Bunz, Uwe H. F. and Dreuw, Andreas}, title={Twisting and bending photo-excited phenylethynylbenzenes}, subtitle={a theoretical analysis}, year={2020}, pages={9974-9981}, language={eng}, issn={1463-9084}, volume={22}, number={18}, note={Gesehen am 22.07.2020}, journal={Physical chemistry, chemical physics}, doi={10.1039/D0CP01662D}, } @article{UBHD-68647399, author={Hodecker, Manuel and Dreuw, Andreas}, title={Unitary coupled cluster ground- and excited-state molecular properties}, year={2020}, pages={10 S.}, language={eng}, issn={1089-7690}, volume={153(2020}, note={Gesehen am 12.10.2020}, journal={The journal of chemical physics}, doi={10.1063/5.0019055}, } @article{UBHD-68800863, author={Intorp, Sebastian and Hodecker, Manuel and M{\"u}ller, Matthias and Tverskoy, Olena and Rosenkranz, Marco and Dmitrieva, Evgenia and Popov, Alexey A. and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.}, title={Quinoidal azaacenes}, subtitle={99 % diradical character}, year={2020}, pages={12396-12401}, language={eng}, issn={1521-3773}, volume={59}, number={30}, note={Version of record online: April 28, 2020 ; Gesehen am 12.11.2021}, journal={Angewandte Chemie}, doi={10.1002/anie.201915977}, url={https://doi.org/10.1002/anie.201915977}, library={UB}, } @article{UBHD-68800866, author={Intorp, Sebastian and Hodecker, Manuel and M{\"u}ller, Matthias and Tverskoy, Olena and Rosenkranz, Marco and Dmitrieva, Evgenia and Popov, Alexey A. and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.}, title={Quinoidal azaacenes}, subtitle={99 % diradical character}, year={2020}, pages={12496-12501}, language={eng}, issn={1521-3757}, volume={59}, number={30}, note={Version of record online: April 28, 2020 ; Gesehen am 12.11.2021}, journal={Angewandte Chemie}, doi={10.1002/ange.201915977}, url={https://doi.org/10.1002/ange.201915977}, library={UB}, } @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}, }