Các bài viết có thể truy cập công khai - Paweł TecmerTìm hiểu thêm
Không có ở bất kỳ nơi nào: 6
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
Các cơ quan ủy nhiệm: Narodowe Centrum Nauki
Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets
KG Dyall, P Tecmer, A Sunaga
Journal of Chemical Theory and Computation 19 (1), 198-210, 2023
Các cơ quan ủy nhiệm: Narodowe Centrum Nauki
Resolving the π-assisted U–N σ f-bond formation using quantum information theory
A Leszczyk, T Dome, P Tecmer, D Kedziera, K Boguslawski
Physical Chemistry Chemical Physics 24 (35), 21296-21307, 2022
Các cơ quan ủy nhiệm: Narodowe Centrum Nauki
Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions
P Tecmer, F Schindler, A Leszczyk, K Boguslawski
Physical Chemistry Chemical Physics 22 (19), 10845-10852, 2020
Các cơ quan ủy nhiệm: European Commission
New physics searches with isotope shifts of two Hg clock transitions
M Witkowski, R Ciuryło, A Gogyan, A Linek, RM Rodriguez, P Tecmer, ...
2022 Joint Conference of the European Frequency and Time Forum and IEEE …, 2022
Các cơ quan ủy nhiệm: European Commission, Narodowe Centrum Nauki
Towards reliable and efficient modeling of [Cu 2 O 2] 2+-based compound electronic structures with the partially fixed reference space protocols
MMF de Moraes, P Tecmer
Physical Chemistry Chemical Physics 26 (29), 19742-19754, 2024
Các cơ quan ủy nhiệm: Narodowe Centrum Nauki
Có tại một số nơi: 36
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Hungarian Scientific Research Fund
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Hungarian Scientific Research Fund
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Research Foundation (Flanders)
Orbital entanglement in quantum chemistry
K Boguslawski, P Tecmer
International Journal of Quantum Chemistry 115 (19), 1289-1295, 2015
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Natural Sciences and Engineering Research …
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Research Foundation (Flanders), Canadian …
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Research Foundation (Flanders), Canadian …
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Research Foundation (Flanders)
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Hungarian Scientific Research Fund
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Hungarian Scientific Research Fund
Singlet ground state actinide chemistry with geminals
P Tecmer, K Boguslawski, PW Ayers
Physical Chemistry Chemical Physics 17 (22), 14427-14436, 2015
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Canadian Institutes of Health Research
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
Các cơ quan ủy nhiệm: Hungarian Scientific Research Fund
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
Các cơ quan ủy nhiệm: Danish Council for Independent Research
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
Các cơ quan ủy nhiệm: Swiss National Science Foundation, Hungarian Scientific Research Fund
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
Các cơ quan ủy nhiệm: Natural Sciences and Engineering Research Council of Canada, Hungarian …
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