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Pawel Tecmer, Prof. Dr. - Publications

Affiliations: 
Institute of Physics Nicolaus Copernicus University 
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25 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Kriebel MH, Tecmer P, Gałyńska M, Leszczyk A, Boguslawski K. Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of Chemical Theory and Computation. 20: 1130-1142. PMID 38306601 DOI: 10.1021/acs.jctc.3c01110  0.64
2023 Tecmer P, Gałyńska M, Szczuczko L, Boguslawski K. Geminal-Based Strategies for Modeling Large Building Blocks of Organic Electronic Materials. The Journal of Physical Chemistry Letters. 14: 9909-9917. PMID 37903084 DOI: 10.1021/acs.jpclett.3c02434  0.723
2023 Jahani S, Boguslawski K, Tecmer P. The relationship between structure and excited-state properties in polyanilines from geminal-based methods. Rsc Advances. 13: 27898-27911. PMID 37736567 DOI: 10.1039/d3ra05621j  0.756
2023 Chakraborty R, Boguslawski K, Tecmer P. Static embedding with pair coupled cluster doubles based methods. Physical Chemistry Chemical Physics : Pccp. 25: 25377-25388. PMID 37705409 DOI: 10.1039/d3cp02502k  0.756
2022 Tecmer P, Boguslawski K. Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry. Physical Chemistry Chemical Physics : Pccp. PMID 36149376 DOI: 10.1039/d2cp02528k  0.753
2022 Leszczyk A, Dome T, Tecmer P, Kedziera D, Boguslawski K. Resolving the π-assisted U-N σ-bond formation using quantum information theory. Physical Chemistry Chemical Physics : Pccp. 24: 21296-21307. PMID 36043327 DOI: 10.1039/d2cp03377a  0.722
2020 Tecmer P, Schindler F, Leszczyk A, Boguslawski K. Mixed uranyl and neptunyl cation-cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions. Physical Chemistry Chemical Physics : Pccp. 22: 10845-10852. PMID 32373899 DOI: 10.1039/d0cp01068e  0.712
2019 Nowak A, Tecmer P, Boguslawski K. Assessing the accuracy of simplified coupled cluster methods for electronic excited states in f0 actinide compounds. Physical Chemistry Chemical Physics : Pccp. 21: 19039-19053. PMID 31468051 DOI: 10.1039/c9cp03678d  0.747
2019 Brzęk F, Boguslawski K, Tecmer P, Żuchowski PS. Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions. Journal of Chemical Theory and Computation. 15: 4021-4035. PMID 31136703 DOI: 10.1021/acs.jctc.9b00189  0.73
2019 Łachmańska A, Tecmer P, Legeza Ö, Boguslawski K. Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory. Physical Chemistry Chemical Physics : Pccp. 21: 744-759. PMID 30547171 DOI: 10.1039/c8cp04267e  0.757
2018 Tecmer P, González-Espinoza CE. Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties. Physical Chemistry Chemical Physics : Pccp. PMID 30182118 DOI: 10.1039/c8cp00048d  0.413
2017 Boguslawski K, Tecmer P. Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry. Journal of Chemical Theory and Computation. 13: 5966-5983. PMID 28921980 DOI: 10.1021/acs.jctc.6b01134  0.753
2017 Boguslawski K, Réal F, Tecmer P, Duperrouzel C, Gomes AS, Legeza Ö, Ayers PW, Vallet V. On the multi-reference nature of plutonium oxides: PuO2(2+), PuO2, PuO3 and PuO2(OH)2. Physical Chemistry Chemical Physics : Pccp. PMID 28116368 DOI: 10.1039/C6Cp05429C  0.74
2016 Tecmer P, Hong SW, Boguslawski K. Dissecting the cation-cation interaction between two uranyl units. Physical Chemistry Chemical Physics : Pccp. PMID 27335229 DOI: 10.1039/c6cp03542f  0.704
2015 Tecmer P, Boguslawski K, Ayers PW. Singlet ground state actinide chemistry with geminals. Physical Chemistry Chemical Physics : Pccp. 17: 14427-36. PMID 25974313 DOI: 10.1039/C4Cp05293E  0.742
2014 Boguslawski K, Tecmer P, Bultinck P, De Baerdemacker S, Van Neck D, Ayers PW. Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function. Journal of Chemical Theory and Computation. 10: 4873-82. PMID 26584374 DOI: 10.1021/Ct500759Q  0.695
2014 Tecmer P, Gomes AS, Knecht S, Visscher L. Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes. The Journal of Chemical Physics. 141: 041107. PMID 25084873 DOI: 10.1063/1.4891801  0.392
2014 Boguslawski K, Tecmer P, Limacher PA, Johnson PA, Ayers PW, Bultinck P, De Baerdemacker S, Van Neck D. Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal. The Journal of Chemical Physics. 140: 214114. PMID 24907997 DOI: 10.1063/1.4880820  0.69
2014 Tecmer P, Boguslawski K, Johnson PA, Limacher PA, Chan M, Verstraelen T, Ayers PW. Assessing the accuracy of new geminal-based approaches. The Journal of Physical Chemistry. A. 118: 9058-68. PMID 24745368 DOI: 10.1021/Jp502127V  0.725
2014 Mottet M, Tecmer P, Boguslawski K, Legeza Ö, Reiher M. Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds. Physical Chemistry Chemical Physics : Pccp. 16: 8872-80. PMID 24682225 DOI: 10.1039/C4Cp00277F  0.747
2014 Tecmer P, Boguslawski K, Legeza Ö, Reiher M. Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO. Physical Chemistry Chemical Physics : Pccp. 16: 719-27. PMID 24263815 DOI: 10.1039/C3Cp53975J  0.725
2013 Boguslawski K, Tecmer P, Barcza G, Legeza Ö, Reiher M. Orbital Entanglement in Bond-Formation Processes. Journal of Chemical Theory and Computation. 9: 2959-73. PMID 26583979 DOI: 10.1021/Ct400247P  0.764
2013 Tecmer P, Govind N, Kowalski K, de Jong WA, Visscher L. Reliable modeling of the electronic spectra of realistic uranium complexes. The Journal of Chemical Physics. 139: 034301. PMID 23883021 DOI: 10.1063/1.4812360  0.359
2012 Boguslawski K, Tecmer P, Legeza Ö, Reiher M. Entanglement Measures for Single- and Multireference Correlation Effects. The Journal of Physical Chemistry Letters. 3: 3129-35. PMID 26296018 DOI: 10.1021/Jz301319V  0.756
2012 Tecmer P, van Lingen H, Gomes AS, Visscher L. The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): new insights in the interaction of the CUO molecule with noble gas matrices. The Journal of Chemical Physics. 137: 084308. PMID 22938234 DOI: 10.1063/1.4742765  0.407
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