107 citations · 200 across the 4 of their papers we have counts for
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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…
cond-mat.str-el2014★ 107 cited
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…