| Year |
Citation |
Score |
| 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 |
0.741 |
|
| 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 |
0.775 |
|
| 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 |
0.773 |
|
| 2023 |
Mamache S, Gałyńska M, Boguslawski K. Benchmarking ionization potentials using the simple pCCD model. Physical Chemistry Chemical Physics : Pccp. 25: 18023-18029. PMID 37378457 DOI: 10.1039/d3cp01963b |
0.363 |
|
| 2023 |
Nowak A, Boguslawski K. A configuration interaction correction on top of pair coupled cluster doubles. Physical Chemistry Chemical Physics : Pccp. 25: 7289-7301. PMID 36810525 DOI: 10.1039/d2cp05171k |
0.325 |
|
| 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 |
0.768 |
|
| 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 |
0.739 |
|
| 2021 |
Leszczyk A, Máté M, Legeza Ö, Boguslawski K. Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost. Journal of Chemical Theory and Computation. 18: 96-117. PMID 34965121 DOI: 10.1021/acs.jctc.1c00284 |
0.39 |
|
| 2021 |
Boguslawski K. Open-shell extensions to closed-shell pCCD. Chemical Communications (Cambridge, England). 57: 12277-12280. PMID 34738608 DOI: 10.1039/d1cc04539c |
0.312 |
|
| 2021 |
Nowak A, Legeza Ö, Boguslawski K. Orbital entanglement and correlation from pCCD-tailored coupled cluster wave functions. The Journal of Chemical Physics. 154: 084111. PMID 33639735 DOI: 10.1063/5.0038205 |
0.456 |
|
| 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 |
0.731 |
|
| 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 |
0.763 |
|
| 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 |
0.749 |
|
| 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 |
0.78 |
|
| 2018 |
Boguslawski K. Targeting Doubly Excited States with Equation of Motion Coupled Cluster Theory Restricted to Double Excitations. Journal of Chemical Theory and Computation. 15: 18-24. PMID 30525613 DOI: 10.1021/acs.jctc.8b01053 |
0.37 |
|
| 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 |
0.771 |
|
| 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 |
0.76 |
|
| 2017 |
Boguslawski K. Targeting excited states in all-trans polyenes with electron-pair states. The Journal of Chemical Physics. 145: 234105. PMID 28010086 DOI: 10.1063/1.4972053 |
0.331 |
|
| 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 |
0.727 |
|
| 2015 |
Boguslawski K, Ayers PW. Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital Geminals. Journal of Chemical Theory and Computation. 11: 5252-61. PMID 26574319 DOI: 10.1021/Acs.Jctc.5B00776 |
0.364 |
|
| 2015 |
Keller S, Boguslawski K, Janowski T, Reiher M, Pulay P. Selection of active spaces for multiconfigurational wavefunctions. The Journal of Chemical Physics. 142: 244104. PMID 26133407 DOI: 10.1063/1.4922352 |
0.553 |
|
| 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 |
0.759 |
|
| 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 |
0.722 |
|
| 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 |
0.719 |
|
| 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 |
0.746 |
|
| 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 |
0.762 |
|
| 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 |
0.746 |
|
| 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 |
0.777 |
|
| 2013 |
Boguslawski K, Jacob CR, Reiher M. Optimized unrestricted Kohn-Sham potentials from ab initio spin densities. The Journal of Chemical Physics. 138: 044111. PMID 23387572 DOI: 10.1063/1.4788913 |
0.697 |
|
| 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 |
0.772 |
|
| 2012 |
Boguslawski K, Marti KH, Legeza O, Reiher M. Accurate ab Initio Spin Densities. Journal of Chemical Theory and Computation. 8: 1970-1982. PMID 22707921 DOI: 10.1021/Ct300211J |
0.557 |
|
| 2011 |
Boguslawski K, Jacob CR, Reiher M. Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes. Journal of Chemical Theory and Computation. 7: 2740-52. PMID 26605465 DOI: 10.1021/Ct1006218 |
0.684 |
|
| 2011 |
Boguslawski K, Marti KH, Reiher M. Construction of CASCI-type wave functions for very large active spaces. The Journal of Chemical Physics. 134: 224101. PMID 21682501 DOI: 10.1063/1.3596482 |
0.525 |
|
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