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Citations to this article as recorded by CrossRef and RSC Journals (12 citations).

Static embedding with pair coupled cluster doubles based methods
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Phys. Chem. Chem. Phys., 2023, 25, 25377
DOI: 10.1039/D3CP02502K

Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster study
Marta Gałyńska, Matheus Morato F. de Moraes, Paweł Tecmer and Katharina Boguslawski
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DOI: 10.1039/D4CP01500B

Benchmarking ionization potentials using the simple pCCD model
Saddem Mamache, Marta Gałyńska and Katharina Boguslawski
Phys. Chem. Chem. Phys., 2023, 25, 18023
DOI: 10.1039/D3CP01963B

Geminal-Based Strategies for Modeling Large Building Blocks of Organic Electronic Materials
Paweł Tecmer, Marta Gałyńska, Lena Szczuczko and Katharina Boguslawski
J. Phys. Chem. Lett., 2023, 14, 9909
DOI: 10.1021/acs.jpclett.3c02434

Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs
Maximilian H. Kriebel, Paweł Tecmer, Marta Gałyńska, Aleksandra Leszczyk and Katharina Boguslawski
J. Chem. Theory Comput., 2024, 20, 1130
DOI: 10.1021/acs.jctc.3c01110

Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
Rahul Chakraborty, Matheus Morato F. de Moraes, Katharina Boguslawski, Artur Nowak, Julian Świerczyński and Paweł Tecmer
J. Chem. Theory Comput., 2024, 20, 4689
DOI: 10.1021/acs.jctc.4c00471

Electron Affinities from Equation-of-Motion Frozen Pair-Type Coupled Cluster Methods and Their Dependence on Single Excitations, Molecular Orbitals, and Basis Set Sizes
Saman Behjou, Paweł Tecmer and Katharina Boguslawski
J. Chem. Theory Comput., 2025, 21, 10315
DOI: 10.1021/acs.jctc.5c01258

Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models
Marta Gałyńska and Katharina Boguslawski
J. Chem. Theory Comput., 2024, 20, 4182
DOI: 10.1021/acs.jctc.4c00172

DMRG-Tailored Coupled Cluster Method in the 4c-Relativistic Domain: General Implementation and Application to the NUHFI and NUF3 Molecules
Jakub Višňák, Jan Brandejs, Mihály Máté, Lucas Visscher, Örs Legeza and Jiří Pittner
J. Chem. Theory Comput., 2024, 20, 8862
DOI: 10.1021/acs.jctc.4c00641

Spin-free orbital entropy, mutual information and correlation analysis
Jiří Pittner
Molecular Physics, 2025
DOI: 10.1080/00268976.2025.2500632

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods
Seyedehdelaram Jahani, Somayeh Ahmadkhani, Katharina Boguslawski and Paweł Tecmer
The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0262453

How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?
Hanna Oher, André Severo Pereira Gomes, Richard E. Wilson, David D. Schnaars and Valérie Vallet
Inorg. Chem., 2023, 62, 9273
DOI: 10.1021/acs.inorgchem.3c00847