Katarzyna Pernal
Politechnika Lódzka
H-index: 33
Europe-Poland
Top articles of Katarzyna Pernal
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Spinless formulation of linearized adiabatic connection approximation and its comparison with second order N-electron valence state perturbation theory | Faraday Discussions | Yang Guo Katarzyna Pernal | 2024 |
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation | Journal of Chemical Theory and Computation | Daria Drwal Katarzyna Pernal Ewa Pastorczak | 2024/4/26 |
On‐Surface Synthesis and Determination of the Open‐Shell Singlet Ground State of Tridecacene | Angewandte Chemie International Edition | Rafal Zuzak Manish Kumar Otilia Stoica Diego Soler‐Polo Jiri Brabec | 2024/2/26 |
Variational quantum eigensolver boosted by adiabatic connection | The Journal of Physical Chemistry A | Mikuláš Matoušek Katarzyna Pernal Fabijan Pavošević Libor Veis | 2024/1/12 |
TREXIO: A file format and library for quantum chemistry | The Journal of chemical physics | Evgeny Posenitskiy Vijay Gopal Chilkuri Abdallah Ammar Michał Hapka Katarzyna Pernal | 2023/5/7 |
Toward more accurate adiabatic connection approach for multireference wavefunctions | The Journal of Chemical Physics | Mikuláš Matoušek Michał Hapka Libor Veis Katarzyna Pernal | 2023/2/7 |
Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives | Journal of Chemical Theory and Computation | Daria Drwal Mikulas Matousek Pavlo Golub Aleksandra Tucholska Michał Hapka | 2023/10/21 |
Projection-based density matrix renormalization group in density functional theory embedding | The Journal of Physical Chemistry Letters | Pavel Beran Katarzyna Pernal Fabijan Pavosevic Libor Veis | 2023/1/17 |
Efficient calculation of the dispersion energy for multireference systems with Cholesky decomposition: Application to excited-state interactions | The Journal of Physical Chemistry Letters | Michał Hapka Agnieszka Krzemińska Marcin Modrzejewski Michał Przybytek Katarzyna Pernal | 2023/7/26 |
Generalized exciton with a noninteger particle and hole charge as an excitation order | Oleg V Gritsenko Mohammad Reza Jangrouei Katarzyna Pernal | 2023/1/1 | |
Experimental–computational approach to investigate elastic properties of struvite | The Journal of Chemical Physics | Katarzyna Pernal Łukasz Kołodziejczyk Rafael J Jiménez Riobóo Jolanta Prywer | 2023/6/28 |
Density Matrix Renormalization Group embedding in Kohn-Sham orbital environment | APS March Meeting Abstracts | Katarzyna Pernal Pavel Beran Fabijan Pavosevic Libor Veis | 2023 |
How to make symmetry-adapted perturbation theory more accurate? | Polish Quantum Chemistry from Kolos to Now | Tatiana Koronaa Michał Hapkaa Katarzyna Pernalb Konrad Patkowskic | 2023/6/5 |
Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis | The Journal of Physical Chemistry A | Piotr H Kowalski Agnieszka Krzemińska Katarzyna Pernal Ewa Pastorczak | 2022/2/15 |
Interplay between π-conjugation and exchange magnetism in one-dimensional porphyrinoid polymers | Journal of the American Chemical Society | Kalyan Biswas Maxence Urbani Ana Sánchez-Grande Diego Soler-Polo Koen Lauwaet | 2022/7/11 |
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | Andrew M Teale Trygve Helgaker Andreas Savin Carlo Adamo Bálint Aradi | 2022 | |
Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π* and n− π* Excited States | Journal of Chemical Theory and Computation | Mohammad Reza Jangrouei Agnieszka Krzemińska Michał Hapka Ewa Pastorczak Katarzyna Pernal | 2022/5/19 |
Efficient adiabatic connection approach for strongly correlated systems: Application to singlet–triplet gaps of biradicals | The Journal of Physical Chemistry Letters | Daria Drwal Pavel Beran Michał Hapka Marcin Modrzejewski Adam Sokół | 2022/5/17 |
An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models | The Journal of Chemical Physics | Michał Hapka Katarzyna Pernal Hans Jørgen Aa Jensen | 2022/5/7 |
Range‐separated multiconfigurational density functional theory methods | Katarzyna Pernal Michał Hapka | 2022/3 |
