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K

Katarzyna Pernal

lodz university of technology

35H指数
160论文数
4.0K被引数
收录论文 71
发表时间
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Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties最优调谐的多组态短程DFT用于线性响应性质
errThe Journal of Physical Chemistry A
IF2.8
err2026-05-08
err0
PREAI
errMichal Hapka; Katarzyna Pernal; Ewa Pastorczak
err分享
err收藏
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation基于投影的DMRG-in-DFT嵌入方法，并通过非加和交换-相关项进行修正
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-09
err0
PREAI
errEnzo Monino; Daria Drwal; Pavel Beran; Michał Hapka; Libor Veis; Katarzyna Pernal
err分享
err收藏
Multireference Dynamic Correlation Energy from the Combined Particle-Hole and Particle-Particle Adiabatic Connection with Random Phase Approximation基于随机相近似结合粒子-空穴和粒子-粒子绝热连接的多参考动态相关能
errJournal of Chemical Theory and Computation
IF5.5
err2026-01-01
err0
PREAI
errTucholska, Aleksandra; Pernal, Katarzyna
err分享
err收藏
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2-,3-,4-, [Fe2S2(SCys)4]2-, [Fe2S2(S-p-tol)4]2-, and [Fe2S2(S-o-xyl)4]2- Complexes电子相关对 [2Fe-2S] 系统的几何和电子结构的重要性: [Fe2S2(SCH3)4]2-，3-，4-，[Fe2S2(SCys)4]2-的基准研究，[Fe2S2 (s-p-tol) 4]2-和 [Fe2S2 (s-o-xyl) 4]2-配合物
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-19
err2
PREAI
errTzeli, Demeter; Golub, Pavlo; Brabec, Jiri; Matousek, Mikulas; Pernal, Katarzyna; Veis, Libor; Raugei, Simone; Xantheas, Sotiris S.
err分享
err收藏
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-26
err0
errOAAI
errDrwal, Daria; Pernal, Katarzyna; Pastorczak, Ewa
err分享
err收藏
On-Surface Synthesis and Determination of the Open-Shell Singlet Ground State of Tridecacene
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-01-24
err11
PREAI
errZuzak, Rafal; Kumar, Manish; Stoica, Otilia; Soler-Polo, Diego; Brabec, Jiri; Pernal, Katarzyna; Veis, Libor; Blieck, Remi; Echavarren, Antonio M.; Jelinek, Pavel; Godlewski, Szymon
err分享
err收藏
Stochastic and low-scaling techniques: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, Ali; Allen, Marcus; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet Kin-Lic; Craciunescu, Luca; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Greene-Diniz, Gabriel; Gruneis, Andreas; Guo, Yang; Harsha, Gaurav; Ibrahim, Basil; Kapil, Venkat; Kats, Daniel; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Li Manni, Giovanni; Loos, Pierre-Francois; Magnusson, Erika; Marie, Antoine; Mejuto-Zaera, Carlos; Neese, Frank; Nejad, Arman; Neufeld, Verena A.; Pernal, Katarzyna; Plasser, Felix; Prentice, Andrew W.; Ravindran, Visagan; Rehman, Umatur; Reiher, Markus; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Szenes, Kalman; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika; Zhu, Andrew; Zwijnenburg, Martijn A.
err分享
err收藏
Spinless formulation of linearized adiabatic connection approximation and its comparison with the second order N-electron valence state perturbation theory
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err1
PREAI
errGuo, Yang; Pernal, Katarzyna
err分享
err收藏
Correlation in extended systems: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, Ali; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Chan, Garnet Kin-Lic; Evangelista, Francesco A.; Goldzak, Tamar; Grueneis, Andreas; Harsha, Gaurav; Kapil, Venkat; Knowles, Peter; Lepetit, Marie-Bernadette; Liebert, Julia; Nejad, Arman; Neufeld, Verena A.; Novoa, Trinidad; Pernal, Katarzyna; Plasser, Felix; Rehman, Umatur; Shi, Benjamin X.; Tew, David P.; Wang, Zikuan; Mejuto-Zaera, Carlos; Zgid, Dominika; Zhu, Andrew; Zhu, Tianyu; Zwijnenburg, Martijn A.
err分享
err收藏
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-21
err20
errOAAI
errDrwal, Daria; Matousek, Mikulas; Golub, Pavlo; Tucholska, Aleksandra; Hapka, Michal; Brabec, Jiri; Veis, Libor; Pernal, Katarzyna
err分享
err收藏
Experimental-computational approach to investigate elastic properties of struvite
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-22
err1
PREAI
errPernal, Katarzyna; Kolodziejczyk, Lukasz; Rioboo, Rafael J. Jimenez J.; Prywer, Jolanta
err分享
err收藏
TREXIO: A file format and library for quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-05
err15
errOAAI
errPosenitskiy, Evgeny; Chilkuri, Vijay Gopal; Ammar, Abdallah; Hapka, Michal; Pernal, Katarzyna; Shinde, Ravindra; Borda, Edgar Josue Landinez; Filippi, Claudia; Nakano, Kosuke; Kohulak, Otto; Sorella, Sandro; Castro, Pablo de Oliveira; Jalby, William; Rios, Pablo Lopez; Alavi, Ali; Scemama, Anthony
err分享
err收藏
Toward more accurate adiabatic connection approach for multireference wavefunctions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-02
err9
errOAAI
errMatousek, Mikulas; Hapka, Michal; Veis, Libor; Pernal, Katarzyna
err分享
err收藏
Interplay between π-Conjugation and Exchange Magnetism in One- Dimensional Porphyrinoid Polymers
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-07-11
err22
errOAAI
errBiswas, Kalyan; Urbani, Maxence; Sanchez-Grande, Ana; Soler-Polo, Diego; Lauwaet, Koen; Matej, Adam; Mutombo, Pingo; Veis, Libor; Brabec, Jiri; Pernal, Katarzyna; Gallego, Jose M.; Miranda, Rodolfo; Ecija, David; Jelinek, Pavel; Torres, Tomas; Urgel, Jose I.
err分享
err收藏
Dispersion Interactions in Exciton-Localized States. Theory and Applications to ?-?* and n-?* Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-19
err7
errOAAI
errJangrouei, Mohammad Reza; Krzeminska, Agnieszka; Hapka, Michal; Pastorczak, Ewa; Pernal, Katarzyna
err分享
err收藏
An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-02
err7
errOAAI
errHapka, Michal; Pernal, Katarzyna; Jensen, Hans Jorgen Aa
err分享
err收藏
Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-11
err30
errOAAI
errBeran, Pavel; Matousek, Mikulas; Hapka, Michal; Pernal, Katarzyna; Veis, Libor
err分享
err收藏
Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-16
err23
errOAAI
errHapka, Michal; Przybytek, Michal; Pernal, Katarzyna
err分享
err收藏
Range-separated multiconfigurational density functional theory methods距离分离的多构型密度泛函理论方法
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2021-08-13
err13
errOAAI
errPernal, Katarzyna; Hapka, Michal
err分享
err收藏
In pursuit of universality
errNATURE REVIEWS CHEMISTRY
IF51.7
err2021-05-25
err1
PREAI
errPernal, Katarzyna; Hapka, Michal
err分享
err收藏

研究方向

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