P
Paweł Tecmer
Researcher at Nicolaus Copernicus University in Toruń
Publications - 56
Citations - 1715
Paweł Tecmer is an academic researcher from Nicolaus Copernicus University in Toruń. The author has contributed to research in topics: Coupled cluster & Quantum entanglement. The author has an hindex of 21, co-authored 50 publications receiving 1404 citations. Previous affiliations of Paweł Tecmer include VU University Amsterdam & McMaster University.
Papers
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Entanglement Measures for Single- and Multi-Reference Correlation Effects
TL;DR: Concepts from quantum information theory are proposed as orbital entanglement measures that allow us to evaluate the single- and multireference character of any molecular structure in a given orbital basis set and can detect possible artifacts of small active spaces.
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Entanglement Measures for Single- and Multireference Correlation Effects.
TL;DR: In this article, the authors propose concepts from quantum information theory as orbital entanglement measures that allow us to evaluate the single and multireference character of any molecular structure in a given orbital basis set.
Journal ArticleDOI
Efficient description of strongly correlated electrons with mean-field cost
Katharina Boguslawski,Paweł Tecmer,Paul W. Ayers,Patrick Bultinck,Stijn De Baerdemacker,Dimitri Van Neck +5 more
TL;DR: In this article, an efficient approach to the electron correlation problem was proposed, which is well suited for strongly interacting many-body systems, but requires only mean-field-like computational cost.
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Orbital Entanglement in Bond-Formation Processes
TL;DR: In this paper, one-and two-orbital-based entanglement measures provide quantitative means for the assessment and classification of electron correlation effects among molecular orbitals, and the dissociation behavior of some prototypical diatomic molecules features all types of correlation effects relevant for chemical bonding.
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Electronic spectroscopy of UO22+, NUO+ and NUN: an evaluation of time-dependent density functional theory for actinides
TL;DR: The performance of the time-dependent density functional theory (TDDFT) approach has been evaluated for the electronic spectrum of the UO(2)(2+), NUO(+) and NUN molecules.