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Andreas Dreuw

20PUBLICATIONS

181CO-AUTHORS

Programming languagesTheoretical quantum chemistryChemical thermodynamics and energeticsRadiation and matterStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter

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Publications (20)

Sort by Publication Date:

|Dec 02, 2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Sep 02, 2021

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

|Aug 08, 2021

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

Adrian L Dempwolff, Alexandra M Belogolova, Thomas Sommerfeld

|Aug 03, 2021

Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework.

Iulia Emilia Brumboiu, Dirk R Rehn, Andreas Dreuw

|Apr 23, 2021

Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra.

Sebastian M Thielen, Manuel Hodecker, Julia Piazolo

|Mar 16, 2021

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

Adrian L Dempwolff, Alexandra M Belogolova, Alexander B Trofimov

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Frequent Collaborators

10 joint publications

Dirk R Rehn

8 joint publications

Manuel Hodecker

7 joint publications

Adrian L Dempwolff

4 joint publications

Patrick Norman

4 joint publications

Alexandra M Belogolova

3 joint publications

Michael F Herbst

3 joint publications

Maximilian Scheurer

3 joint publications

Alexander B Trofimov

3 joint publications

Alexander C Paul

2 joint publications

Tomasz A Wesolowski

Frequent Collaborators

10 joint publications

Dirk R Rehn

8 joint publications

Manuel Hodecker

7 joint publications

Adrian L Dempwolff

4 joint publications

Patrick Norman

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