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Physical Chemistry Chemical Physics : PCCP|May 7, 2020
Mixed uranyl and neptunyl cation-cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactionsPaweł Tecmer, Frank Schindler, Aleksandra Leszczyk, et al.Journal of Chemical Theory and Computation|December 29, 2021
Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial CostAleksandra Leszczyk, Mihály Máté, Örs Legeza, et al.Physical Chemistry Chemical Physics : PCCP|August 31, 2022
Resolving the π-assisted U-N σf-bond formation using quantum information theoryAleksandra Leszczyk, Tibor Dome, Paweł Tecmer, et al.Journal of Chemical Theory and Computation|February 2, 2024
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUsMaximilian H Kriebel, Paweł Tecmer, Marta Gałyńska, et al.Pageof 1