Katarzyna D. Pernal, Ph.D.
Affiliations: | Florida State University, Tallahassee, FL, United States |
Area:
theoretical chemistryGoogle:
"Katarzyna Pernal"Mean distance: 10.18 | S | N | B | C | P |
Parents
Sign in to add mentor| Jerzy Cioslowski | grad student | 2002 | Florida State | |
| (Development of density matrix functional theory.) | ||||
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Publications
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| Hapka M, Krzemińska A, Modrzejewski M, et al. (2023) Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions. The Journal of Physical Chemistry Letters. 6895-6903 |
| Matoušek M, Hapka M, Veis L, et al. (2023) Toward more accurate adiabatic connection approach for multireference wavefunctions. The Journal of Chemical Physics. 158: 054105 |
| Beran P, Pernal K, Pavošević F, et al. (2023) Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The Journal of Physical Chemistry Letters. 14: 716-722 |
| Jangrouei MR, Krzemińska A, Hapka M, et al. (2022) Dispersion Interactions in Exciton-Localized States. Theory and Applications to π-π* and n-π* Excited States. Journal of Chemical Theory and Computation. 18: 3497-3511 |
| Drwal D, Beran P, Hapka M, et al. (2022) Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals. The Journal of Physical Chemistry Letters. 4570-4578 |
| Beran P, Matoušek M, Hapka M, et al. (2021) Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection. Journal of Chemical Theory and Computation. 17: 7575-7585 |
| Hapka M, Przybytek M, Pernal K. (2021) Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers. Journal of Chemical Theory and Computation. 17: 5538-5555 |
| Drwal D, Pastorczak E, Pernal K. (2021) Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum. The Journal of Chemical Physics. 154: 164102 |
| Hapka M, Pastorczak E, Krzemińska A, et al. (2020) Long-range-corrected multiconfiguration density functional with the on-top pair density Journal of Chemical Physics. 152: 94102 |
| Fromager E, Gidopoulos N, Gori-Giorgi P, et al. (2020) Strong correlation in density functional theory: general discussion. Faraday Discussions |