Publications by authors named "Marcin Modrzejewski"

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Random-phase approximation vs Møller-Plesset perturbation theory for many-body energy contributions of hydrogen-bonded molecular solids.
Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

J Chem Phys· December 2025

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Multi-Level Coupled-Cluster Description of Crystal Lattice Energies.
Krystyna Syty, Grzegorz Czekało, Khanh Ngoc Pham, Marcin Modrzejewski

J Chem Theory Comput· June 2025

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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, Pavlo Golub, Libor Veis

J Phys Chem Lett· June 2025

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Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene.
Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

J Chem Phys· June 2024

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Post-Kohn-Sham Random-Phase Approximation and Correction Terms in the Expectation-Value Coupled-Cluster Formulation.
Dominik Cieśliński, Aleksandra M Tucholska, Marcin Modrzejewski

J Chem Theory Comput· October 2023

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Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions.
Michał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski, Michał Przybytek, Katarzyna Pernal

J Phys Chem Lett· August 2023

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Assessment of random phase approximation and second-order Møller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene.
Khanh Ngoc Pham, Marcin Modrzejewski, Jiří Klimeš

J Chem Phys· April 2023

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Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals.
Daria Drwal, Pavel Beran, Michał Hapka, Marcin Modrzejewski, Adam Sokół

J Phys Chem Lett· May 2022

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Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers.
Katarzyna Madajczyk, Piotr S Żuchowski, Filip Brzȩk, Łukasz Rajchel, Dariusz Kȩdziera, Marcin Modrzejewski

J Chem Phys· April 2021

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Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage.
Marcin Modrzejewski, Sirous Yourdkhani, Szymon Śmiga, Jiří Klimeš

J Chem Theory Comput· February 2021

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Assessment of SAPT(DFT) with meta-GGA functionals.
Michał Hapka, Marcin Modrzejewski, Grzegorz Chałasiński, Małgorzata M Szczęśniak

J Mol Model· April 2020

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Random Phase Approximation Applied to Many-Body Noncovalent Systems.
Marcin Modrzejewski, Sirous Yourdkhani, Jiří Klimeš

J Chem Theory Comput· January 2020

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The nature of three-body interactions in DFT: Exchange and polarization effects.
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, Rainer Schäffer, Grzegorz Chałasiński

J Chem Phys· August 2017

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Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions.
Marcin Modrzejewski, Michal Hapka, Grzegorz Chalasinski, Malgorzata M Szczesniak

J Chem Theory Comput· August 2016

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Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory.
Michał Hapka, Łukasz Rajchel, Marcin Modrzejewski, Grzegorz Chałasiński, Małgorzata M Szczęśniak

J Chem Phys· October 2014

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Range-Separated meta-GGA Functional Designed for Noncovalent Interactions.
Marcin Modrzejewski, Grzegorz Chałasiński, Małgorzata M Szczęśniak

J Chem Theory Comput· October 2014

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Transition properties from the Hermitian formulation of the coupled cluster polarization propagator.
Aleksandra M Tucholska, Marcin Modrzejewski, Robert Moszynski

J Chem Phys· September 2014

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Density functional theory approach to gold-ligand interactions: separating true effects from artifacts.
Jessica V Koppen, Michał Hapka, Marcin Modrzejewski, Małgorzata M Szczęśniak, Grzegorz Chałasiński

J Chem Phys· June 2014

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Density-dependent onset of the long-range exchange: a key to donor-acceptor properties.
Marcin Modrzejewski, Lukasz Rajchel, Grzegorz Chalasinski, Małgorzata M Szczesniak

J Phys Chem A· November 2013

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A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion.
Marcin Modrzejewski, Michał Lesiuk, Łukasz Rajchel, Małgorzata M Szczęśniak, Grzegorz Chałasiński

J Chem Phys· November 2012

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Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities.
Marcin Modrzejewski, Łukasz Rajchel, Małgorzata M Szczęśniak, Grzegorz Chałasiński

J Chem Phys· May 2012

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A density functional theory approach to noncovalent interactions via interacting monomer densities.
Łukasz Rajchel, Piotr S Żuchowski, Michał Hapka, Marcin Modrzejewski, Małgorzata M Szczęśniak

Phys Chem Chem Phys· November 2010

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