Publications by authors named "Manuel Hodecker"

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Unitary coupled-cluster theory for the electron propagator: electron attachment and physical properties the intermediate state representation.
Manuel Hodecker, Andreas Dreuw, Adrian L Dempwolff

Phys Chem Chem Phys· August 2025

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Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods.
Adrian L Dempwolff, Manuel Hodecker, Andreas Dreuw

J Chem Phys· February 2022

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Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization.
Manuel Hodecker, Adrian L Dempwolff, Jochen Schirmer, Andreas Dreuw

J Chem Phys· February 2022

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Manuel Hodecker

J Chem Phys· August 2021

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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, Andreas Dreuw

J Chem Phys· April 2021

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A Doubly Bridged Bis(phenylethynyl)benzene: Different from a Twisted Tolan.
Manuel Hodecker, Yury Kozhemyakin, Svenja Weigold, Frank Rominger, Jan Freudenberg

Chemistry· December 2020

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Unitary coupled cluster ground- and excited-state molecular properties.
Manuel Hodecker, Andreas Dreuw

J Chem Phys· August 2020

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Quinoidal Azaacenes: 99 % Diradical Character.
Sebastian N Intorp, Manuel Hodecker, Matthias Müller, Olena Tverskoy, Marco Rosenkranz

Angew Chem Int Ed Engl· July 2020

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Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking.
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, Dirk R Rehn, Andreas Dreuw

J Chem Theory Comput· June 2020

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Twisting and bending photo-excited phenylethynylbenzenes - a theoretical analysis.
Manuel Hodecker, Alexis M Driscoll, Uwe H F Bunz, Andreas Dreuw

Phys Chem Chem Phys· May 2020

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Hermitian second-order methods for excited electronic states: Unitary coupled cluster in comparison with algebraic-diagrammatic construction schemes.
Manuel Hodecker, Dirk R Rehn, Andreas Dreuw

J Chem Phys· March 2020

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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, Andreas Dreuw

J Chem Phys· May 2019

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Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities.
Manuel Hodecker, Dirk R Rehn, Patrick Norman, Andreas Dreuw

J Chem Phys· May 2019

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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, Sebastian Höfener

J Chem Phys· April 2019

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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, Andreas Dreuw

J Chem Phys· February 2019

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Azaacenes Bearing Five-Membered Rings.
Michael Ganschow, Silke Koser, Manuel Hodecker, Frank Rominger, Jan Freudenberg

Chemistry· September 2018

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Phenylene Bridged Cyclic Azaacenes: Dimers and Trimers.
Sebastian Hahn, Silke Koser, Manuel Hodecker, Pascal Seete, Frank Rominger

Chemistry· May 2018

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Alkyne-Substituted N-Heterophenes.
Sebastian Hahn, Silke Koser, Manuel Hodecker, Olena Tverskoy, Frank Rominger

Chemistry· June 2017

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Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects.
Manuel Hodecker, Malgorzata Biczysko, Andreas Dreuw, Vincenzo Barone

J Chem Theory Comput· June 2016

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