107 citations · 200 across the 4 of their papers we have counts for
4 papers
Benchmark of dynamic electron correlation models for seniority-zero wavefunctions and their application to thermochemistry
Katharina Boguslawski, Paweł Tecmer
Wavefunctions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation pro…
Analysis of two-orbital correlations in wavefunctions restricted to electron-pair states
Katharina Boguslawski, Paweł Tecmer, Örs Legeza
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. I…
A quantum informational approach for dissecting chemical reactions
Corinne Duperrouzel, Paweł Tecmer, Katharina Boguslawski +3
We present a conceptionally different approach to dissect bond-formation processes in metal-driven catalysis using concepts from quantum information theory. Our method uses the ent…
Projected seniority-two orbital optimization of the Antisymmetric Product of one-reference orbital Geminal
Katharina Boguslawski, Paweł Tecmer, Peter A. Limacher +5
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observa…