Katharina Boguslawski
Uniwersytet Mikolaja Kopernika w Toruniu
H-index: 24
Europe-Poland
Top articles of Katharina Boguslawski
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
arXiv preprint arXiv:2404.06385
2024/4/9
PyBEST: Improved functionality and enhanced performance
Computer Physics Communications
2024/4/1
Benchmarking ionization potentials from pCCD tailored coupled cluster models
arXiv preprint arXiv:2402.06496
2024/2/9
Katharina Boguslawski
H-Index: 18
Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs
Journal of Chemical Theory and Computation
2024/2/2
Geminal-based strategies for modeling large building blocks of organic electronic materials
2023/10/30
Paweł Tecmer
H-Index: 17
Katharina Boguslawski
H-Index: 18
The relationship between structure and excited-state properties in polyanilines from geminal-based methods
RSC Advances
2023
Katharina Boguslawski
H-Index: 18
Paweł Tecmer
H-Index: 17
Static Embedding with Pair Coupled Cluster Doubles Based Methods
Physical Chemistry Chemical Physics
2023
Rahul Chakraborty
H-Index: 4
Katharina Boguslawski
H-Index: 18
Benchmarking ionization potentials using the simple pCCD model
Physical Chemistry Chemical Physics
2023
Katharina Boguslawski
H-Index: 18
A configuration interaction correction on top of pair coupled cluster doubles
Physical Chemistry Chemical Physics
2023
Artur Nowak
H-Index: 2
Katharina Boguslawski
H-Index: 18
Geminal-based electronic structure methods in quantum chemistry. Toward a geminal model chemistry
2022
Paweł Tecmer
H-Index: 17
Katharina Boguslawski
H-Index: 18
Resolving the π-assisted U–N σ f-bond formation using quantum information theory
Physical Chemistry Chemical Physics
2022
Assessing the accuracy of tailored coupled cluster methods corrected by electronic wave functions of polynomial cost
Journal of Chemical Theory and Computation
2021/12/29
Aleksandra Leszczyk
H-Index: 2
Katharina Boguslawski
H-Index: 18
Open-shell extensions to closed-shell pCCD
Chemical Communications
2021
Katharina Boguslawski
H-Index: 18
Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics
Computer Physics Communications
2021/7/1
Katharina Boguslawski
H-Index: 18
Aleksandra Leszczyk
H-Index: 2
Artur Nowak
H-Index: 2
Filip Brzęk
H-Index: 1
Dariusz Kędziera
H-Index: 10
Paweł Tecmer
H-Index: 17
Orbital entanglement and correlation from pCCD-tailored coupled cluster wave functions
The Journal of Chemical Physics
2021/2/28
Artur Nowak
H-Index: 2
Katharina Boguslawski
H-Index: 18
Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions
Physical Chemistry Chemical Physics
2020
Paweł Tecmer
H-Index: 17
Frank Schindler
H-Index: 11
Aleksandra Leszczyk
H-Index: 2
Katharina Boguslawski
H-Index: 18
Co-Authors
