Theo Juncker von Buchwald

Theo Juncker von Buchwald is a Researcher at the Department of Chemistry, Technical University of Denmark. His work focuses on quantum chemistry and computational methods.

• Current PhD Student in Computational Chemistry
• Active in cluster perturbation theory and electronic structure calculations

His research includes:

• Coupled cluster singles and doubles theory
• Excitation energy calculations
• Perturbation theory applications
• Quantum linear response and density matrix formulations
• Core excited states and ionization potentials

Recent publications highlight advancements in:

• Parallel implementations for large-scale quantum computations
• Variational excitation energy series
• Core-valence separation techniques
• Density matrix approaches for quantum response
• Hybrid quantum chemistry methods