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The Journal of Chemical Physics
|
May 4, 2021
Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum
Daria Drwal, Ewa Pastorczak, Katarzyna Pernal
Journal of Chemical Theory and Computation
|
April 26, 2024
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Scientific Reports
|
October 7, 2022
Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory
Arkadiusz Jarota, Daria Drwal, Jakub Pięta, et al.
The Journal of Chemical Physics
|
June 9, 2026
Why projection-based WF-in-DFT cannot be exact, even with the exact exchange-correlation functional. Formal and practical sources of errors
Enzo Monino, Daria Drwal, Michał Hapka, et al.
Journal of Chemical Theory and Computation
|
February 9, 2026
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation
Enzo Monino, Daria Drwal, Pavel Beran, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals
Daria Drwal, Pavel Beran, Michał Hapka, et al.
Journal of Chemical Theory and Computation
|
October 21, 2023
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives
Daria Drwal, Mikulas Matousek, Pavlo Golub, et al.
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of 1
Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
May 4, 2021
Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum
Daria Drwal, Ewa Pastorczak, Katarzyna Pernal
Journal of Chemical Theory and Computation
|
April 26, 2024
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Scientific Reports
|
October 7, 2022
Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory
Arkadiusz Jarota, Daria Drwal, Jakub Pięta, et al.
The Journal of Chemical Physics
|
June 9, 2026
Why projection-based WF-in-DFT cannot be exact, even with the exact exchange-correlation functional. Formal and practical sources of errors
Enzo Monino, Daria Drwal, Michał Hapka, et al.
Journal of Chemical Theory and Computation
|
February 9, 2026
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation
Enzo Monino, Daria Drwal, Pavel Beran, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals
Daria Drwal, Pavel Beran, Michał Hapka, et al.
Journal of Chemical Theory and Computation
|
October 21, 2023
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives
Daria Drwal, Mikulas Matousek, Pavlo Golub, et al.
Page
of 1