Theo dõi
Paweł Tecmer
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
2092012
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
1522013
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
1292014
Orbital entanglement in quantum chemistry
K Boguslawski, P Tecmer
International Journal of Quantum Chemistry 115 (19), 1289-1295, 2015
1122015
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
992014
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
972011
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), 2014
932014
Scattering lengths in isotopologues of the RbYb system
M Borkowski, PS Żuchowski, R Ciuryło, PS Julienne, D Kędziera, ...
Physical Review A—Atomic, Molecular, and Optical Physics 88 (5), 052708, 2013
852013
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
812014
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
562012
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
552014
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
522014
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), 2013
462013
Singlet ground state actinide chemistry with geminals
P Tecmer, K Boguslawski, PW Ayers
Physical Chemistry Chemical Physics 17 (22), 14427-14436, 2015
422015
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
402016
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), 2014
402014
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
372017
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
372015
Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry
P Tecmer, K Boguslawski
Physical Chemistry Chemical Physics 24 (38), 23026-23048, 2022
362022
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
342017
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