Clear filters
  • 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, The Journal of Physical Chemistry Letters, vol. 10, no. 16, pp. 4668-4674, August 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., vol. 8, no. 15, pp. 4430-4439, August 2019

  • A. Jarota, E. Pastorczak, W. Tawfik, B. Xue, R. Kania, H. Abramczyk, T. Kobayashi, Exploring ultrafast dynamics of diarylethene derivative by sub-10 fs laser pulses, Phys. Chem. Chem. Phys., no. 21, pp. 192-204 , January 2019

  • E. Pastorczak, K. Pernal, Molecular interactions in electron-groups embedding generalized valence bond picture, Theor. Chem. Acc., vol. 137, no. 12, pp. 172, November 2018

  • E. Pastorczak, K. Pernal, Electronic Excited States from the Adiabatic-Connection Formalism with Complete Active Space Wave Functions, The Journal of Physical Chemistry Letters, vol. 9, no. 18, pp. 5534-5538, 2018

  • E. Pastorczak, K. Pernal, Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions, J. Chem. Theory Comput., vol. 14, no. 7, pp. 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., vol. 13, no. 11, pp. 5404-5419, 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., vol. 144, pp. 244111, 2016

  • E. Pastorczak, K. Pernal, A road to a multiconfigurational ensemble density functional theory without ghost interactions, Int. J. Quantum Chem., vol. 116, no. 11, pp. 880–889, 2016

  • K. Pernal, N. I. Gidopoulos, E. Pastorczak, Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches, Advances in Quantum Chemistry, Academic Press, pp. 199-229, 2016

Elements per page 10