Katarzyna Pernal

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 32

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

The journal of physical chemistry letters

The Journal of chemical physics

Lodz University of Technology

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Lodz University of Technology

Poland

prof. :: Institute of Physics

Publications

Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation. Journal of chemical theory and computation 20 (9) (2024)
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation. Journal of chemical theory and computation 20 (9) (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation. Journal of chemical theory and computation 20 (9) (2024)
Michał Hapka, Ewa Pastorczak, Katarzyna Pernal
Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations. The journal of physical chemistry. A (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Michał Hapka, Ewa Pastorczak, Katarzyna Pernal
Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations. The journal of physical chemistry. A 128 (33) (2024)
Michał Hapka, Ewa Pastorczak, Katarzyna Pernal
Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations. The journal of physical chemistry. A 128 (33) (2024)
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation. Journal of chemical theory and computation (2024)
Yang Guo, Katarzyna Pernal
Spinless formulation of linearized adiabatic connection approximation and its comparison with the second order N-electron valence state perturbation theory. Faraday discussions (2024)
Michał Hapka, Ewa Pastorczak, Katarzyna Pernal
Self-Adapting Short-Range Correlation Functional for Complete Active Space-Based Approximations. The journal of physical chemistry. A 128 (33) (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A (2024)
Mikuláš Matoušek, Michał Hapka, Libor Veis, Katarzyna Pernal
Toward more accurate adiabatic connection approach for multireference wavefunctions. The Journal of chemical physics 158 (5) (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters (2023)
Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar, Michał Hapka, Katarzyna Pernal, Ravindra Shinde, Edgar Josué Landinez Borda, Claudia Filippi, Kousuke Nakano, Otto Kohulák, Sandro Sorella, Pablo de Oliveira Castro, William Jalby, Pablo López Ríos, Ali Alavi, Anthony Scemama
TREXIO: A file format and library for quantum chemistry. The Journal of chemical physics 158 (17) (2023)
Michał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski, Michał Przybytek, Katarzyna Pernal
Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions. The journal of physical chemistry letters (2023)
Katarzyna Pernal, Łukasz Kołodziejczyk, Rafael J Jiménez Riobóo, Jolanta Prywer
Experimental-computational approach to investigate elastic properties of struvite. The Journal of chemical physics 158 (24) (2023)
Daria Drwal, Mikulas Matousek, Pavlo Golub, Aleksandra M Tucholska, Michał Hapka, Jiri Brabec, Libor Veis, Katarzyna Pernal
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives. Journal of chemical theory and computation (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Piotr H Kowalski, Agnieszka Krzemińska, Katarzyna Pernal, Ewa Pastorczak
Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis. The journal of physical chemistry. A 126 (7) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Kalyan Biswas, Maxence Urbani, Ana Sánchez-Grande, Diego Soler-Polo, Koen Lauwaet, Adam Matěj, Pingo Mutombo, Libor Veis, Jiri Brabec, Katarzyna Pernal, José M Gallego, Rodolfo Miranda, David Ecija, Pavel Jelínek, Tomás Torres, José I Urgel
Interplay between π-Conjugation and Exchange Magnetism in One-Dimensional Porphyrinoid Polymers. Journal of the American Chemical Society 144 (28) (2022)
Daria Drwal, Pavel Beran, Michał Hapka, Marcin Modrzejewski, Adam Sokół, Libor Veis, Katarzyna Pernal
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals. The journal of physical chemistry letters 13 (20) (2022)
Mohammad Reza Jangrouei, Agnieszka Krzemińska, Michał Hapka, Ewa Pastorczak, Katarzyna Pernal
Dispersion Interactions in Exciton-Localized States. Theory and Applications to π-π* and n-π* Excited States. Journal of chemical theory and computation 18 (6) (2022)
Michał Hapka, Michał Przybytek, Katarzyna Pernal
Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers. Journal of chemical theory and computation 17 (9) (2021)
Wiktoria Jedwabny, Edyta Dyguda-Kazimierowicz, Katarzyna Pernal, Krzysztof Szalewicz, Konrad Patkowski
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts. The journal of physical chemistry. A 125 (8) (2021)
Pavel Beran, Mikuláš Matoušek, Michał Hapka, Katarzyna Pernal, Libor Veis
Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection. Journal of chemical theory and computation (2021)
Michał Hapka, Agnieszka Krzemińska, Katarzyna Pernal
How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy? Journal of chemical theory and computation 16 (10) (2020)
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density. The journal of physical chemistry letters 11 (15) (2020)
Katarzyna Pernal, Oleg V Gritsenko
Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states. Faraday discussions (2020)
Katarzyna Pernal, Oleg V Gritsenko, Robert van Meer
Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections. The Journal of chemical physics 151 (16) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Katarzyna Pernal