Paweł Tecmer

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Katharina BoguslawskiInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus UniversityVerified email at fizyka.umk.pl
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca
Markus ReiherProfessor of Theoretical Chemistry, ETH ZurichVerified email at phys.chem.ethz.ch
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamVerified email at vu.nl
Andre Severo Pereira GomesCNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules (UMR8523)Verified email at univ-lille.fr
stijn de baerdemackerUniversity of New BrunswickVerified email at unb.ca
Patrick BultinckGhent University - UGentVerified email at UGent.be
Piotr ŻuchowskiNicolaus Copernicus University (UMK), Torun, PolandVerified email at fizyka.umk.pl
Dariusz KędzieraFaculty of Chemistry; Nicolaus Copernicus University; Torun; PolandVerified email at chem.umk.pl
Matthew ChanMcMaster UniversityVerified email at mcmaster.ca
Paul Andrew JohnsonUniversité LavalVerified email at chm.ulaval.ca
Mateusz BorkowskiColumbia UniversityVerified email at mateuszborkowski.com
Cristina E. González-EspinozaUniversity of GenevaVerified email at unige.ch
Lukasz MentelunifaiVerified email at arundo.com
Paul S. JulienneJQI, NIST and the University of MarylandVerified email at umd.edu
Roman CiuryloInstitute of Physics, Nicolaus Copernicus University (UMK), Torun, PolandVerified email at fizyka.umk.pl
Axel GörlitzProfessor für Experimentalphysik, HHU DüsseldorfVerified email at uni-duesseldorf.de
Toon VerstraelenCenter for Molecular Modeling, Ghent UniverstyVerified email at UGent.be
Yilin ZhaoPhD Candidate, McMaster UniversityVerified email at mcmaster.ca
Aleksandra LeszczykInstitute of Physics, Nicolaus Copernicus University in TorunVerified email at fizyka.umk.pl

Paweł Tecmer

Institute of Physics, Nicolaus Copernicus University in Torun

Verified email at fizyka.umk.pl - Homepage

electronic structure of heavy elements - excited states - strong electron correlation - geminals - quantum entanglement


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Entanglement Measures for Single- and Multireference Correlation Effects K Boguslawski, P Tecmer, Ö Legeza, M Reiher Journal of Physical Chemistry Letters 3 (21), 3129–3135, 2012	155	2012
Orbital entanglement in bond-formation processes K Boguslawski, P Tecmer, G Barcza, O Legeza, M Reiher Journal of Chemical Theory and Computation 9 (7), 2959-2973, 2013	108	2013
Efficient description of strongly correlated electrons with mean-field cost K Boguslawski, P Tecmer, PW Ayers, P Bultinck, S De Baerdemacker, ... Physical Review B 89 (20), 201106, 2014	89	2014
Scattering lengths in isotopologues of the RbYb system M Borkowski, PS Żuchowski, R Ciuryło, PS Julienne, D Kędziera, ... Physical Review A 88 (5), 052708, 2013	75	2013
Electronic spectroscopy of UO 2 2+, NUO+ and NUN: an evaluation of time-dependent density functional theory for actinides P Tecmer, ASP Gomes, U Ekström, L Visscher Physical Chemistry Chemical Physics 13 (13), 6249-6259, 2011	71	2011
Assessing the accuracy of new geminal-based approaches P Tecmer, K Boguslawski, PA Johnson, PA Limacher, M Chan, ... The Journal of Physical Chemistry A 118 (39), 9058-9068, 2014	70	2014
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal K Boguslawski, P Tecmer, PA Limacher, PA Johnson, PW Ayers, ... The Journal of Chemical Physics 140 (21), 214114, 2014	63	2014
Orbital entanglement in quantum chemistry K Boguslawski, P Tecmer International Journal of Quantum Chemistry 115 (19), 1289-1295, 2015	59	2015
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO P Tecmer, K Boguslawski, Ö Legeza, M Reiher Physical Chemistry Chemical Physics 16 (2), 719-727, 2014	47	2014
Nonvariational orbital optimization techniques for the AP1roG wave function K Boguslawski, P Tecmer, P Bultinck, S De Baerdemacker, D Van Neck, ... Journal of Chemical Theory and Computation 10 (11), 4873-4882, 2014	46	2014
Quantum Entanglement in Carbon-Carbon, Carbon-Phosphorus and Silicon-Silicon Bonds M Mottet, P Tecmer, K Boguslawski, O Legeza, M Reiher Phys. Chem. Chem. Phys. 16, 8872-8880, 2014	45	2014
Charge-Transfer Excitations in Uranyl Tetrachloride ([UO₂Cl₄]^2–): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional … P Tecmer, R Bast, K Ruud, L Visscher The Journal of Physical Chemistry A 116 (27), 7397-7404, 2012	38	2012
Reliable modeling of the electronic spectra of realistic uranium complexes P Tecmer, N Govind, K Kowalski, WA De Jong, L Visscher The Journal of Chemical Physics 139 (3), 034301, 2013	35	2013
A quantum informational approach for dissecting chemical reactions C Duperrouzel, P Tecmer, K Boguslawski, G Barcza, Ö Legeza, PW Ayers Chemical Physics Letters 621, 160-164, 2015	27	2015
The electronic spectrum of CUONg₄ (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices P Tecmer, H Van Lingen, ASP Gomes, L Visscher The Journal of Chemical Physics 137 (8), 084308, 2012	27	2012
Singlet ground state actinide chemistry with geminals P Tecmer, K Boguslawski, PW Ayers Physical Chemistry Chemical Physics 17 (22), 14427-14436, 2015	26	2015
On the multi-reference nature of plutonium oxides: PuO 2 2+, PuO 2, PuO 3 and PuO 2 (OH) 2 K Boguslawski, F Réal, P Tecmer, C Duperrouzel, ASP Gomes, Ö Legeza, ... Physical Chemistry Chemical Physics 19 (6), 4317-4329, 2017	24	2017
Analysis of two-orbital correlations in wave functions restricted to electron-pair states K Boguslawski, P Tecmer, Ö Legeza Physical Review B 94 (15), 155126, 2016	22	2016
Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes P Tecmer, A Severo Pereira Gomes, S Knecht, L Visscher The Journal of Chemical Physics 141 (4), 041107, 2014	20	2014
Benchmark of dynamic electron correlation models for seniority-zero wave functions and their application to thermochemistry K Boguslawski, P Tecmer Journal of Chemical Theory and Computation 13 (12), 5966-5983, 2017	17	2017

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