Andreas Dreuw - Dissemin

All papers authored by Andreas Dreuw

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2022 Luca Craciunescu

, Sara Wirsing, Sebastian Hammer

, Katharina Broch

, Andreas Dreuw

, Felipe Fantuzzi

, Vipilan Sivanesan

, Petra Tegeder

, Bernd Engels

Accurate Polarization-Resolved Absorption Spectra of Organic Semiconductor Thin Films Using First-Principles Quantum-Chemical Methods: Pentacene as a Case Study

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2021 Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng

, Joonho Lee, Yuezhi Mao

, Narbe Mardirossian, Pavel Pokhilko, Alec F. White

, Marc P. Coons

, Adrian L. Dempwolff

, Zhengting Gan, Diptarka Hait

, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman and 205 other authors

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

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Adrian L. Dempwolff

, Alexandra M. Belogolova

, Thomas Sommerfeld

, Alexander B. Trofimov

, Andreas Dreuw

CAP/EA-ADC method for metastable anions: Computational aspects and application to π* resonances of norbornadiene and 1,4-cyclohexadiene

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Adrian L. Dempwolff

, Alexandra M. Belogolova

, Alexander B. Trofimov

, Andreas Dreuw

Intermediate state representation approach to physical properties of molecular electron-attached states: Theory, implementation, and benchmarking

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Thomas Fransson

, Iulia E. Brumboiu

, Marta L. Vidal

, Patrick Norman

, Sonia Coriani

, Andreas Dreuw

XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions

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2020 Adrian L. Dempwolff

, Alexander C. Paul

, Alexandra M. Belogolova

, Alexander B. Trofimov

, Andreas Dreuw

Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking

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Adrian L. Dempwolff

, Alexander C. Paul

, Alexandra M. Belogolova

, Alexander B. Trofimov, Andreas Dreuw

Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation

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2018 Michael F. Herbst

, Andreas Dreuw

, James Emil Avery

Toward quantum-chemical method development for arbitrary basis functions

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Maximilian Scheurer

, Michael F. Herbst

, Peter Reinholdt

, Jógvan Magnus Haugaard Olsen

, Andreas Dreuw

, Jacob Kongsted

Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems

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Stefan Pusch, Andreas Tröster, Daniel Lefrancois

, Pooria Farahani

, Andreas Dreuw

, Thorsten Bach

, Till Opatz

Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations

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Yvonne Becker, Erik Unger, Manuela A. H. Fichte, Daniel A. Gacek

, Andreas Dreuw

, Josef Wachtveitl

, Peter J. Walla, Alexander Heckel

A red-shifted two-photon-only caging group for three-dimensional photorelease

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2017 Daniel Lefrancois

, Deniz Tuna, Todd J. Martínez

, Andreas Dreuw

The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S1/S0 Conical Intersections

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Chong Yang, Andreas Dreuw

Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations

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Henrik Gustmann, Daniel Lefrancois

, Andreas J. Reuss, Dnyaneshwar B. Gophane, Markus Braun

, Andreas Dreuw

, Snorri T.-H. Sigurdsson

, Josef Wachtveitl

Spin the light off: rapid internal conversion into a dark doublet state quenches the fluorescence of an RNA spin label

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Tobias Setzer

, Christian Lennartz, Andreas Dreuw

A theoretical study on the mechanistic highlights behind the Brønsted-acid dependent mer–fac isomerization of homoleptic carbenic iridium complexes for PhOLEDs

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Tim Stauch

, Andreas Dreuw

Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture

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Mercedes V. Bohnwagner, Irene Burghardt, Andreas Dreuw

Regular and red-shifted fluorescence of the donor–acceptor compound 5-(1H-pyrrole-1-yl)thiophenecarbonitrile (TCN) is efficiently quenched by internal modes of thiophene

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All papers authored by Andreas Dreuw