Paweł Tecmer

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Katharina BoguslawskiInstitute of Physics, Nicolaus Copernicus University in ToruńVerified 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
Matthew ChanMcMaster UniversityVerified email at mcmaster.ca
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
Cristina E. González-EspinozaUniversity of GenevaVerified email at unige.ch
Paul Andrew JohnsonUniversité LavalVerified email at chm.ulaval.ca
Mateusz BorkowskiUniversity of AmsterdamVerified email at uva.nl
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 ZhaoMcmaster UniersityVerified email at mcmaster.ca
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofVerified email at uit.no

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	138	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	96	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	80	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	68	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	63	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	61	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	54	2014
Orbital entanglement in quantum chemistry K Boguslawski, P Tecmer International Journal of Quantum Chemistry 115 (19), 1289-1295, 2015	50	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	45	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	41	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	40	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	34	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	32	2013
Horton 2.0. 1 T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ... Available at theochem. github. com/horton/. Accessed August 28, 2017, 2016	26	2016
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	26	2012
Singlet ground state actinide chemistry with geminals P Tecmer, K Boguslawski, PW Ayers Physical Chemistry Chemical Physics 17 (22), 14427-14436, 2015	23	2015
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	22	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	19	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	18	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	16	2014

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