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Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum
by
Drwal, Daria
,
Pastorczak, Ewa
,
Pernal, Katarzyna
Published in
The Journal of chemical physics
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Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory
by
Jarota, Arkadiusz
,
Drwal, Daria
,
Pięta, Jakub
,
Pastorczak, Ewa
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Scientific reports
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Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation
by
Drwal, Daria
,
Pernal, Katarzyna
,
Pastorczak, Ewa
Published in
Journal of chemical theory and computation
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Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives
by
Drwal, Daria
,
Matousek, Mikulas
,
Golub, Pavlo
,
Tucholska, Aleksandra
,
Hapka, Michał
,
Brabec, Jiri
,
Veis, Libor
,
Pernal, Katarzyna
Published in
Journal of chemical theory and computation
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Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals
by
Drwal, Daria
,
Beran, Pavel
,
Hapka, Michał
,
Modrzejewski, Marcin
,
Sokół, Adam
,
Veis, Libor
,
Pernal, Katarzyna
Published in
The journal of physical chemistry letters
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The role of spin polarization and dynamic correlation in singlet-triplet gap inversion of heptazine derivatives
by
Drwal, Daria
,
Matousek, Mikulas
,
Golub, Pavlo
,
Tucholska, Aleksandra
,
Hapka, Michał
,
Brabec, Jiri
,
Veis, Libor
,
Pernal, Katarzyna
Published in
arXiv.org
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Efficient adiabatic connection approach for strongly correlated systems. Application to singlet-triplet gaps of biradicals
by
Drwal, Daria
,
Beran, Pavel
,
Hapka, Michał
,
Modrzejewski, Marcin
,
Sokół, Adam
,
Veis, Libor
,
Pernal, Katarzyna
Published in
arXiv.org
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