Theo Juncker von Buchwald

9PUBLICATIONS
27CO-AUTHORS
Catalysis and mechanisms of reactionsQuantum computationTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (9)

|Jun 26, 2026
The x-ray absorption spectrum of the propargyl radical C3H3●.

|Feb 05, 2026
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response.

Theo Juncker von Buchwald, Erik Rosendahl Kjellgren, Jacob Kongsted

|Oct 27, 2025
Penguin: A Python-Based Program for Electronic Structure Calculations Based on Coupled Cluster Theory.

Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald

|Jan 09, 2025
Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy function.

Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald

|Nov 12, 2024
Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order.

Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer

|Aug 06, 2024
Reduced Density Matrix Formulation of Quantum Linear Response.

Theo Juncker von Buchwald, Karl Michael Ziems, Erik Rosendahl Kjellgren

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Frequent Collaborators

5 joint publications

Andreas Erbs Hillers-Bendtsen

5 joint publications

Kurt V Mikkelsen

4 joint publications

Sonia Coriani

3 joint publications

Poul Jørgensen