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Journal of Chemical Theory and Computation
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April 26, 2024
Multireference Correlated Oscillator Strengths from Adiabatic Connection Approaches Based on Extended Random Phase Approximation
Daria Drwal, Katarzyna Pernal, Ewa Pastorczak
Journal of Chemical Theory and Computation
|
September 3, 2020
How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy?
Michał Hapka, Agnieszka Krzemińska, Katarzyna Pernal
Topics in Current Chemistry
|
May 15, 2015
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)
Katarzyna Pernal, Klaas J H Giesbertz
The Journal of Physical Chemistry. A
|
May 8, 2026
Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties
Michal Hapka, Katarzyna Pernal, Ewa Pastorczak
Journal of Chemical Theory and Computation
|
September 14, 2021
Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers
Michał Hapka, Michał Przybytek, Katarzyna Pernal
The Journal of Physical Chemistry Letters
|
June 27, 2020
Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
The Journal of Chemical Physics
|
January 14, 2014
How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches
Katarzyna Pernal, Koushik Chatterjee, Piotr H Kowalski
The Journal of Chemical Physics
|
June 4, 2020
Molecular multibond dissociation with small complete active space augmented by correlation density functionals
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
The Journal of Chemical Physics
|
June 11, 2005
An improved density matrix functional by physically motivated repulsive corrections
Oleg Gritsenko, Katarzyna Pernal, Evert Jan Baerends
The Journal of Chemical Physics
|
May 7, 2022
An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models
Michał Hapka, Katarzyna Pernal, Hans Jørgen Aa Jensen
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of 8
Search research articles
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Showing results (31-40 of 76) with videos related to
Sort By:
Page
of 8
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
Journal of Chemical Theory and Computation
|
September 3, 2020
How Much Dispersion Energy Is Included in the Multiconfigurational Interaction Energy?
Michał Hapka, Agnieszka Krzemińska, Katarzyna Pernal
Topics in Current Chemistry
|
May 15, 2015
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)
Katarzyna Pernal, Klaas J H Giesbertz
The Journal of Physical Chemistry. A
|
May 8, 2026
Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties
Michal Hapka, Katarzyna Pernal, Ewa Pastorczak
Journal of Chemical Theory and Computation
|
September 14, 2021
Symmetry-Adapted Perturbation Theory Based on Multiconfigurational Wave Function Description of Monomers
Michał Hapka, Michał Przybytek, Katarzyna Pernal
The Journal of Physical Chemistry Letters
|
June 27, 2020
Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
The Journal of Chemical Physics
|
January 14, 2014
How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches
Katarzyna Pernal, Koushik Chatterjee, Piotr H Kowalski
The Journal of Chemical Physics
|
June 4, 2020
Molecular multibond dissociation with small complete active space augmented by correlation density functionals
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
The Journal of Chemical Physics
|
June 11, 2005
An improved density matrix functional by physically motivated repulsive corrections
Oleg Gritsenko, Katarzyna Pernal, Evert Jan Baerends
The Journal of Chemical Physics
|
May 7, 2022
An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models
Michał Hapka, Katarzyna Pernal, Hans Jørgen Aa Jensen
Page
of 8