Ewa Pastorczak
Title
Cited by
Cited by
Year
Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions
E Pastorczak, C Corminboeuf
The Journal of chemical physics 146 (12), 120901, 2017
592017
Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle
E Pastorczak, NI Gidopoulos, K Pernal
Physical Review A 87 (6), 062501, 2013
422013
ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems
E Pastorczak, K Pernal
Physical Chemistry Chemical Physics 17 (14), 8622-8626, 2015
342015
Ensemble density variational methods with self- and ghost-interaction-corrected functionals
E Pastorczak, K Pernal
The Journal of Chemical Physics 140 (18), 18A514, 2014
262014
Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
E Pastorczak, A Prlj, JF Gonthier, C Corminboeuf
The Journal of chemical physics 143 (22), 224107, 2015
212015
A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction
K Chatterjee, E Pastorczak, K Jawulski, K Pernal
The Journal of chemical physics 144 (24), 244111, 2016
182016
Correlation energy from the adiabatic connection formalism for complete active space wave functions
E Pastorczak, K Pernal
Journal of chemical theory and computation 14 (7), 3493-3503, 2018
162018
Intricacies of van der Waals interactions in systems with elongated bonds revealed by electron-groups embedding and high-level coupled-cluster approaches
E Pastorczak, J Shen, M Hapka, P Piecuch, K Pernal
Journal of chemical theory and computation 13 (11), 5404-5419, 2017
102017
Electronic excited states from the adiabatic-connection formalism with complete active space wave functions
E Pastorczak, K Pernal
The journal of physical chemistry letters 9 (18), 5534-5538, 2018
92018
Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches
K Pernal, NI Gidopoulos, E Pastorczak
Advances in Quantum Chemistry 73, 199-229, 2016
82016
Long-range-corrected multiconfiguration density functional with the on-top pair density
M Hapka, E Pastorczak, A Krzemińska, K Pernal
The Journal of Chemical Physics 152 (9), 094102, 2020
62020
Exploring the ultrafast dynamics of a diarylethene derivative using sub-10 fs laser pulses
A Jarota, E Pastorczak, W Tawfik, B Xue, R Kania, H Abramczyk, ...
Physical Chemistry Chemical Physics 21 (1), 192-204, 2019
62019
A road to a multiconfigurational ensemble density functional theory without ghost interactions
E Pastorczak, K Pernal
International Journal of Quantum Chemistry 116, 880–889, 2016
52016
Capturing the dynamic correlation for arbitrary spin-symmetry CASSCF reference with adiabatic connection approaches: Insights into the electronic structure of the …
E Pastorczak, M Hapka, L Veis, K Pernal
The journal of physical chemistry letters 10 (16), 4668-4674, 2019
32019
Generalized Valence Bond Perfect-Pairing Made Versatile Through Electron-Pairs Embedding
E Pastorczak, HJA Jensen, PH Kowalski, K Pernal
Journal of chemical theory and computation 15 (8), 4430-4439, 2019
32019
Molecular interactions in electron-groups embedding generalized valence bond picture
E Pastorczak, K Pernal
Theoretical Chemistry Accounts 137 (12), 1-10, 2018
32018
A deeper look into the photocycloreversion of a yellow diarylethene photoswitch: why is it so fast?
A Jarota, E Pastorczak, H Abramczyk
Physical Chemistry Chemical Physics 22, 5408-5412, 2020
12020
rsc. li/pccp
A Jarota, E Pastorczak, H Abramczyk, J Kaub, J Kler, SC Parker, ...
Phys. Chem. Chem. Phys 22, 5389-5407, 2020
2020
Development of Computational Methods for Electronic Structure of Molecules Employing Range-separated Electron Density Functionals Ans Based on the Ensemble Variational Principle
E Pastorczak
2014
Multiconfigurational ensemble DFT for excited states
E Pastorczak, K Pernal
Density-based embedding for multiscale simulations, 2014
2014
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Articles 1–20