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)

|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