107 citations · 200 across the 4 of their papers we have counts for
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physics.chem-ph2017
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…
physics.chem-ph2014★ 40 cited
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…