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Rahul Chakraborty
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Year
The effect of sequence on the ionization of guanine in DNA
R Chakraborty, D Ghosh
Physical Chemistry Chemical Physics 18 (9), 6526-6533, 2016
272016
PyBEST: Improved functionality and enhanced performance
K Boguslawski, F Brzęk, R Chakraborty, K Cieślak, S Jahani, A Leszczyk, ...
Computer Physics Communications 297, 109049, 2024
242024
Evolutionary algorithm based configuration interaction approach
R Chakraborty, P Ghosh, D Ghosh
International Journal of Quantum Chemistry 118 (6), e25509, 2018
202018
Static embedding with pair coupled cluster doubles based methods
R Chakraborty, K Boguslawski, P Tecmer
Physical Chemistry Chemical Physics 25 (37), 25377-25388, 2023
182023
Effect of solvation on the ionization of guanine nucleotide: A hybrid QM/EFP study
R Chakraborty, S Bose, D Ghosh
Journal of Computational Chemistry 38 (29), 2528-2537, 2017
182017
Simulation of fermionic circuits using majorana propagation
A Miller, J Favre, Z Holmes, Ö Salehi, R Chakraborty, A Nykänen, ...
arXiv preprint arXiv:2503.18939, 2025
162025
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
R Chakraborty, MMF de Moraes, K Boguslawski, A Nowak, J Swierczynski, ...
Journal of Chemical Theory and Computation 20 (11), 4689-4702, 2024
92024
Simulation of fermionic circuits using majorana propagation (2025)
A Miller, Z Holmes, Ö Salehi, R Chakraborty, A Nykänen, Z Zimborás, ...
arXiv preprint arXiv:2503.18939, 0
5
Expectation Value-pCCD-Based Methods for Single-Electron Properties
R Chakraborty, S Ahmadkhani, J Świerczyński, K Boguslawski, P Tecmer
The Journal of Physical Chemistry A 129 (29), 6713-6732, 2025
32025
PyBEST
S Behjou, F Brzęk, R Chakraborty, K Cieślak, A Dobrowolska, S Jahani, ...
Zenodo, 0
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Articles 1–10