175 citations · 1.3k across the 40 of their papers we have counts for
Showing 2013 · physics.chem-phShow all
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physics.chem-ph2013★ 50 cited
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO
Pawel Tecmer, Katharina Boguslawski, Ors Legeza +1
The accurate description of the complexation of the CUO molecule by Ne and Ar noble gas matrices represents a challenging task for present-day quantum chemistry. Especially, the ac…
physics.chem-ph2013★ 138 cited
Orbital entanglement in bond-formation processes
Katharina Boguslawski, Pawel Tecmer, Gergely Barcza +2
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to esti…