Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum
Drwal, Daria, Pastorczak, Ewa, Pernal, Katarzyna
Published in The Journal of chemical physics (28.04.2021)
Published in The Journal of chemical physics (28.04.2021)
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Journal Article
Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory
Jarota, Arkadiusz, Drwal, Daria, Pięta, Jakub, Pastorczak, Ewa
Published in Scientific reports (07.10.2022)
Published in Scientific reports (07.10.2022)
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Journal Article
A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction
Chatterjee, Koushik, Pastorczak, Ewa, Jawulski, Konrad, Pernal, Katarzyna
Published in The Journal of chemical physics (28.06.2016)
Published in The Journal of chemical physics (28.06.2016)
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Journal Article
Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations
Hapka, Michał, Pastorczak, Ewa, Pernal, Katarzyna
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.08.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.08.2024)
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Journal Article
A road to a multiconfigurational ensemble density functional theory without ghost interactions
Pastorczak, Ewa, Pernal, Katarzyna
Published in International journal of quantum chemistry (05.06.2016)
Published in International journal of quantum chemistry (05.06.2016)
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Journal Article
Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical
Pastorczak, Ewa, Hapka, Michał, Veis, Libor, Pernal, Katarzyna
Published in The journal of physical chemistry letters (15.08.2019)
Published in The journal of physical chemistry letters (15.08.2019)
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Journal Article
Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis
Kowalski, Piotr H, Krzemińska, Agnieszka, Pernal, Katarzyna, Pastorczak, Ewa
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.02.2022)
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Journal Article
Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π and n−π Excited States
Jangrouei, Mohammad Reza, Krzemińska, Agnieszka, Hapka, Michał, Pastorczak, Ewa, Pernal, Katarzyna
Published in Journal of chemical theory and computation (14.06.2022)
Published in Journal of chemical theory and computation (14.06.2022)
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