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Journal of Chemical Theory and Computation
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July 25, 2018
Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies
Szymon Śmiga, Ireneusz Grabowski
Journal of Chemical Theory and Computation
|
June 20, 2020
Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations
Szymon Śmiga, Lucian A Constantin
The Journal of Physical Chemistry. A
|
June 20, 2020
Unveiling the Physics Behind Hybrid Functionals
Szymon Śmiga, Lucian A Constantin
Journal of Chemical Theory and Computation
|
March 7, 2025
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
Aditi Singh, Eduardo Fabiano, Szymon Śmiga
The Journal of Physical Chemistry Letters
|
October 2, 2024
A Critical Evaluation of the Hybrid KS DFT Functionals Based on the KS Exchange-Correlation Potentials
Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski
Journal of Chemical Theory and Computation
|
February 13, 2026
Toward Doubly Local Double Hybrid Functionals Using Neural-Network Local Mixing Functions
Nóra Kovács, Szymon Śmiga, Martin Kaupp, et al.
Journal of Chemical Theory and Computation
|
March 25, 2025
An Analysis of Regularized Second-Order Energy Expressions in the Context of Post-HF and KS-DFT Calculations: What Do We Gain and What Do We Lose?
Igor Sawicki, Vincenzo Triglione, Subrata Jana, et al.
Journal of Chemical Theory and Computation
|
January 15, 2021
Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage
Marcin Modrzejewski, Sirous Yourdkhani, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
June 12, 2026
Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems
Abhishek Bhattacharjee, Subrata Jana, Szymon Śmiga, et al.
The Journal of Chemical Physics
|
February 10, 2020
The ab initio density functional theory applied for spin-polarized calculations
Szymon Śmiga, Volodymyr Marusiak, Ireneusz Grabowski, et al.
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of 3
Search research articles
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Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
July 25, 2018
Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies
Szymon Śmiga, Ireneusz Grabowski
Journal of Chemical Theory and Computation
|
June 20, 2020
Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations
Szymon Śmiga, Lucian A Constantin
The Journal of Physical Chemistry. A
|
June 20, 2020
Unveiling the Physics Behind Hybrid Functionals
Szymon Śmiga, Lucian A Constantin
Journal of Chemical Theory and Computation
|
March 7, 2025
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
Aditi Singh, Eduardo Fabiano, Szymon Śmiga
The Journal of Physical Chemistry Letters
|
October 2, 2024
A Critical Evaluation of the Hybrid KS DFT Functionals Based on the KS Exchange-Correlation Potentials
Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski
Journal of Chemical Theory and Computation
|
February 13, 2026
Toward Doubly Local Double Hybrid Functionals Using Neural-Network Local Mixing Functions
Nóra Kovács, Szymon Śmiga, Martin Kaupp, et al.
Journal of Chemical Theory and Computation
|
March 25, 2025
An Analysis of Regularized Second-Order Energy Expressions in the Context of Post-HF and KS-DFT Calculations: What Do We Gain and What Do We Lose?
Igor Sawicki, Vincenzo Triglione, Subrata Jana, et al.
Journal of Chemical Theory and Computation
|
January 15, 2021
Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage
Marcin Modrzejewski, Sirous Yourdkhani, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
June 12, 2026
Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems
Abhishek Bhattacharjee, Subrata Jana, Szymon Śmiga, et al.
The Journal of Chemical Physics
|
February 10, 2020
The ab initio density functional theory applied for spin-polarized calculations
Szymon Śmiga, Volodymyr Marusiak, Ireneusz Grabowski, et al.
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of 3