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Journal of Chemical Theory and Computation
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May 29, 2025
Multi-Level Coupled-Cluster Description of Crystal Lattice Energies
Krystyna Syty, Grzegorz Czekało, Khanh Ngoc Pham, et al.
Journal of Molecular Modeling
|
April 17, 2020
Assessment of SAPT(DFT) with meta-GGA functionals
Michał Hapka, Marcin Modrzejewski, Grzegorz Chałasiński, et al.
The Journal of Chemical Physics
|
June 7, 2012
Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities
Marcin Modrzejewski, Łukasz Rajchel, Małgorzata M Szczęśniak, et al.
The Journal of Physical Chemistry Letters
|
July 26, 2023
Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions
Michał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
December 5, 2012
A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
Marcin Modrzejewski, Michał Lesiuk, Łukasz Rajchel, et al.
The Journal of Chemical Physics
|
October 10, 2014
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
July 3, 2014
Density functional theory approach to gold-ligand interactions: separating true effects from artifacts
Jessica V Koppen, Michał Hapka, Marcin Modrzejewski, et al.
The Journal of Physical Chemistry Letters
|
June 17, 2025
Correcting Basis Set Incompleteness in Wave Function Correlation Energy by Dressing Electronic Hamiltonian with an Effective Short-Range Interaction
Michał Hapka, Aleksandra Tucholska, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
September 3, 2017
The nature of three-body interactions in DFT: Exchange and polarization effects
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, 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.
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of 3
Search research articles
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Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
May 29, 2025
Multi-Level Coupled-Cluster Description of Crystal Lattice Energies
Krystyna Syty, Grzegorz Czekało, Khanh Ngoc Pham, et al.
Journal of Molecular Modeling
|
April 17, 2020
Assessment of SAPT(DFT) with meta-GGA functionals
Michał Hapka, Marcin Modrzejewski, Grzegorz Chałasiński, et al.
The Journal of Chemical Physics
|
June 7, 2012
Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities
Marcin Modrzejewski, Łukasz Rajchel, Małgorzata M Szczęśniak, et al.
The Journal of Physical Chemistry Letters
|
July 26, 2023
Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions
Michał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
December 5, 2012
A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
Marcin Modrzejewski, Michał Lesiuk, Łukasz Rajchel, et al.
The Journal of Chemical Physics
|
October 10, 2014
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
July 3, 2014
Density functional theory approach to gold-ligand interactions: separating true effects from artifacts
Jessica V Koppen, Michał Hapka, Marcin Modrzejewski, et al.
The Journal of Physical Chemistry Letters
|
June 17, 2025
Correcting Basis Set Incompleteness in Wave Function Correlation Energy by Dressing Electronic Hamiltonian with an Effective Short-Range Interaction
Michał Hapka, Aleksandra Tucholska, Marcin Modrzejewski, et al.
The Journal of Chemical Physics
|
September 3, 2017
The nature of three-body interactions in DFT: Exchange and polarization effects
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, 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.
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of 3