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  • A. Jarota, D. Drwal, J. Pięta, E. Pastorczak, Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory, Sci. Rep. 12(1), 16834, 2022
  • M. R. Jangrouei, A. Krzemińska-Kowalska, M. Hapka, E. Pastorczak, K. Pernal, Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π* and n−π* Excited States, J. Chem. Theory Comput. 18(6), 3497-3511, 2022
  • P. Kowalski, A. Krzemińska-Kowalska, K. Pernal, E. Pastorczak, Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis, J. Phys. Chem. A 126(7), 1312-1319, 2022
  • D. Drwal, E. Pastorczak, K. Pernal, Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum, J. Chem. Phys. 154(16), 164102, 2021
  • A. Jarota, E. Pastorczak, H. Abramczyk, A deeper look into the photocycloreversion of a yellow diarylethene photoswitch: why is it so fast?, Phys. Chem. Chem. Phys. 22(10), 5408-5412, 2020
  • M. Hapka, E. Pastorczak, A. Krzemińska-Kowalska, K. Pernal, Long-range-corrected multiconfiguration density functional with the on-top pair density, J. Chem. Phys. 152(9), 094102, 2020
  • E. Pastorczak, M. Hapka, L. Veis, K. Pernal, Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical, J. Phys. Chem. Lett. 10(16), 4668-4674, 2019
  • E. Pastorczak, H. J. A. Jensen, P. Kowalski, K. Pernal, Generalized Valence Bond Perfect-Pairing Made Versatile Through Electron-Pairs Embedding, J. Chem. Theory Comput. 15(8), 4430-4439, 2019
  • A. Jarota, E. Pastorczak, W. Tawfik, B. Xue, R. Kania, H. Abramczyk, T. Kobayashi, Exploring the ultrafast dynamics of a diarylethene derivative using sub-10 fs laser pulses, Phys. Chem. Chem. Phys. 21(1), 192-204, 2019
  • E. Pastorczak, K. Pernal, Molecular interactions in electron-groups embedding generalized valence bond picture, Theor. Chem. Acc. 137(12), 172, 2018
  • E. Pastorczak, K. Pernal, Electronic Excited States from the Adiabatic-Connection Formalism with Complete Active Space Wave Functions, J. Phys. Chem. Lett. 9(18), 5534-5538, 2018
  • E. Pastorczak, K. Pernal, Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions, J. Chem. Theory Comput. 14(7), 3493-3503, 2018
  • E. Pastorczak, J. Shen, M. Hapka, P. Piecuch, K. Pernal, Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches, J. Chem. Theory Comput. 13(11), 5404-5419, 2017
  • E. Pastorczak, C. Corminboeuf, Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions, J. Chem. Phys. 146(12), 120901, 2017
  • K. Chatterjee, E. Pastorczak, K. Jawulski, K. Pernal, A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction, J. Chem. Phys. 144(24), 244111, 2016
  • E. Pastorczak, K. Pernal, A road to a multiconfigurational ensemble density functional theory without ghost interactions, Int. J. Quantum Chem. 116(11), 880-889, 2016
  • K. Pernal, N. I. Gidopoulos, E. Pastorczak, Excitation Energies of Molecules from Ensemble Density Functional Theory, Advances in Quantum Chemistry, Elsevier, pp. 199-229, 2016
  • E. Pastorczak, A. Prlj, J. F. Gonthier, C. Corminboeuf, Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction, J. Chem. Phys. 143(22), 224107, 2015
  • E. Pastorczak, K. Pernal, ERPA–APSG: a computationally efficient geminal-based method for accurate description of chemical systems, Phys. Chem. Chem. Phys. 17(14), 8622-8626, 2015
  • E. Pastorczak, K. Pernal, Ensemble density variational methods with self- and ghost-interaction-corrected functionals, J. Chem. Phys. 140(18), 18A514, 2014