
Hodecker, Manuel M.Sc.; Dr. rer. nat.Universität HeidelbergHeidelberg
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Co-Autoren (Uni Heidelberg)
- Koser, Silke (3)
- Hahn, Sebastian (2)
- Müller, Matthias (2)
- Intorp, Sebastian (2)
- Thielen, Sebastian M. (2)
- Schirmer, Jochen (1)
- Ganschow, Michael (1)
- Seete, Pascal (1)
- Schneider, Matthias (1)
- Weigold, Svenja (1)
Co-Autoren (extern)
Publikationen in heiBIB 
- 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
- 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
- Intorp, Sebastian: Quinoidal azaacenes : 99 % diradical character / Sebastian N. Intorp, Manuel Hodecker, Matthias Müller, Olena Tverskoy, Marco Rosenkranz, Evgenia Dmi… , 19 March 2020. - 6 S.
In: Angewandte Chemie, ISSN 1521-3757. 59(2020), 30, Seite 12496-12501
DOI: 10.1002/ange.201915977
- Intorp, Sebastian: Quinoidal azaacenes : 99 % diradical character / Sebastian N. Intorp, Manuel Hodecker, Matthias Müller, Olena Tverskoy, Marco Rosenkranz, Evgenia Dmi… , 19 March 2020. - 6 S.
In: Angewandte Chemie, ISSN 1521-3773. 59(2020), 30, Seite 12396-12401
DOI: 10.1002/anie.201915977
- Hodecker, Manuel: A doubly bridged bis(phenylethynyl)benzene : different from a twisted tolan / Manuel Hodecker, Yury Kozhemyakin, Svenja Weigold, Frank Rominger, Jan Freudenberg, Andreas Dreuw, a… , 2020. - 4 S.
In: Chemistry - a European journal, ISSN 1521-3765. 26(2020), 71, Seite 16990-16993
DOI: 10.1002/chem.202002552
- Hodecker, Manuel: Unitary coupled cluster ground- and excited-state molecular properties / Manuel Hodecker, Andreas Dreuw, 26 August 2020. - 10 S.
In: The journal of chemical physics, ISSN 1089-7690. 153(2020,8) Artikel-Nummer 084112, 10 Seiten
DOI: 10.1063/5.0019055
- 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: Twisting and bending photo-excited phenylethynylbenzenes : a theoretical analysis / Manuel Hodecker, Alexis M. Driscoll, Uwe H.F. Bunz and Andreas Dreuw, 24 Apr 2020. - 8 S.
In: Physical chemistry, chemical physics, ISSN 1463-9084. 22(2020), 18, Seite 9974-9981
DOI: 10.1039/D0CP01662D
- Hodecker, Manuel: Development and application of hermitian methods for molecular properties and excited electronic states / vorgelegt von Manuel Hodecker, Master of Science Chemie ; Prof. Dr. Andreas Dreuw, Prof. Dr. Oriol V… . -
Heidelberg, März 2020. - XII, 251 Seiten : Illustrationen, Diagramme
- Hodecker, Manuel: Development and application of hermitian methods for molecular properties and excited electronic states / vorgelegt von Manuel Hodecker, Master of Science Chemie ; Prof. Dr. Andreas Dreuw, Prof. Dr. Oriol V… . -
Heidelberg, 12 Mai 2020. - 1 Online-Ressource (XII, 251 Seiten) : Diagramme
DOI: 10.11588/heidok.00028275
- 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
- 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
- Ganschow, Michael: Azaacenes bearing five-membered rings / Michael Ganschow, Silke Koser, Manuel Hodecker, Frank Rominger, Jan Freudenberg, Andreas Dreuw, and … , August10, 2018. - 9 S.
In: Chemistry - a European journal, ISSN 1521-3765. 24(2018), 51, Seite 13667-13675
DOI: 10.1002/chem.201802900
- Hahn, Sebastian: Phenylene bridged cyclic azaacenes : dimers and trimers / Sebastian Hahn, Silke Koser, Manuel Hodecker, Pascal Seete, Frank Rominger, Ognjen Š Miljanić, Andre… , 31 January 2018. - 7 S.
In: Chemistry - a European journal, ISSN 1521-3765. 24(2018), 27, Seite 6968-6974
DOI: 10.1002/chem.201705704
- Hahn, Sebastian: Alkyne-substituted N-heterophenes / Sebastian Hahn, Silke Koser, Manuel Hodecker, Olena Tverskoy, Frank Rominger, Andreas Dreuw, and Uwe… . - 4 S.
In: Chemistry - a European journal, ISSN 1521-3765. 23(2017), 34, S. 8148-8151
DOI: 10.1002/chem.201701304
- Hodecker, Manuel: Simulation of vacuum UV absorption and electronic circular dichroism spectra of methyl oxirane : the role of vibrational effects / Manuel Hodecker, Malgorzata Biczysko, Andreas Dreuw, and Vincenzo Barone. - 14 S.
In: Journal of chemical theory and computation, ISSN 1549-9626. 12(2016), 6, S. 2820-2833
DOI: 10.1021/acs.jctc.6b00121
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