Pawel Tecmer, Prof. Dr.
Affiliations: | Institute of Physics | Nicolaus Copernicus University |
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"Pawel Tecmer"Parents
Sign in to add mentor| Lucas Visscher | grad student | 2008-2012 | VU Amsterdam |
| Markus Reiher | post-doc | ETH Zürich |
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Publications
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| Pandey RD, de Moraes MMF, Boguslawski K, et al. (2025) Frozen-Pair-Type pCCD-Based Methods and Their Double Ionization Variants to Predict Properties of Prototypical BN-Doped Light Emitters. Journal of Chemical Theory and Computation. 21: 5049-5061 |
| Jahani S, Ahmadkhani S, Boguslawski K, et al. (2025) Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods. The Journal of Chemical Physics. 162 |
| Szczuczko L, Gałyńska M, Kriebel MH, et al. (2025) Domain-Based Charge-Transfer Decomposition and Its Application to Explore the Charge-Transfer Character in Prototypical Dyes. Journal of Chemical Theory and Computation. 21: 4506-4519 |
| Gałyńska M, Tecmer P, Boguslawski K. (2024) Exploring Electron Affinities, LUMO Energies, and Band Gaps with Electron-Pair Theories. The Journal of Physical Chemistry. A. 128: 11068-11073 |
| Ahmadkhani S, Boguslawski K, Tecmer P. (2024) Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited State Properties. Journal of Chemical Theory and Computation |
| de Moraes MMF, Tecmer P. (2024) Towards reliable and efficient modeling of [CuO]-based compound electronic structures with the partially fixed reference space protocols. Physical Chemistry Chemical Physics : Pccp |
| Gałyńska M, de Moraes MMF, Tecmer P, et al. (2024) Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster study. Physical Chemistry Chemical Physics : Pccp. 26: 18918-18929 |
| Chakraborty R, de Moraes MMF, Boguslawski K, et al. (2024) Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation. Journal of Chemical Theory and Computation |
| Kriebel MH, Tecmer P, Gałyńska M, et al. (2024) Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs. Journal of Chemical Theory and Computation. 20: 1130-1142 |
| Tecmer P, Gałyńska M, Szczuczko L, et al. (2023) Geminal-Based Strategies for Modeling Large Building Blocks of Organic Electronic Materials. The Journal of Physical Chemistry Letters. 14: 9909-9917 |