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Physical Review. E
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April 19, 2017
Bias cancellation in one-determinant fixed-node diffusion Monte Carlo: Insights from fermionic occupation numbers
Matúš Dubecký
Journal of Chemical Theory and Computation
|
July 15, 2026
From Wave Function Sign Structure to Static Correlation
Matúš Dubecký
Journal of Chemical Theory and Computation
|
July 8, 2017
Noncovalent Interactions by Fixed-Node Diffusion Monte Carlo: Convergence of Nodes and Energy Differences vs Gaussian Basis-Set Size
Matúš Dubecký
Journal of Chemical Theory and Computation
|
February 8, 2023
Accuracy of Noncovalent Interactions Involving <i>d</i>-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials
Vladimír Kolesár, Matúš Dubecký
The Journal of Chemical Physics
|
September 8, 2014
The work functions of Au/Mg decorated Au(100), Mg(001), and AuMg alloy surfaces: a theoretical study
Matúš Dubecký, František Dubecký
Journal of Chemical Theory and Computation
|
June 25, 2021
Noncovalent Interactions by the Quantum Monte Carlo Method: Strong Influence of Isotropic Jastrow Cutoff Radii
Roman Fanta, Matúš Dubecký
Journal of Computational Chemistry
|
December 15, 2020
Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in complexes with hydrogen bonds
Martin Šulka, Matúš Dubecký
Physical Review Letters
|
November 9, 2019
Fractional Charge by Fixed-Node Diffusion Monte Carlo Method
Matej Ditte, Matúš Dubecký
Journal of Computational Chemistry
|
September 22, 2023
Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride
Michal Novotný, Matúš Dubecký, František Karlický
The Journal of Physical Chemistry Letters
|
October 14, 2025
Why Nondynamic Correlation Matters for <i>ππ</i> Stacking? Lessons from the Benzene Dimer
Roman Fanta, Petr Jurečka, Matúš Dubecký
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Physical Review. E
|
April 19, 2017
Bias cancellation in one-determinant fixed-node diffusion Monte Carlo: Insights from fermionic occupation numbers
Matúš Dubecký
Journal of Chemical Theory and Computation
|
July 15, 2026
From Wave Function Sign Structure to Static Correlation
Matúš Dubecký
Journal of Chemical Theory and Computation
|
July 8, 2017
Noncovalent Interactions by Fixed-Node Diffusion Monte Carlo: Convergence of Nodes and Energy Differences vs Gaussian Basis-Set Size
Matúš Dubecký
Journal of Chemical Theory and Computation
|
February 8, 2023
Accuracy of Noncovalent Interactions Involving <i>d</i>-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials
Vladimír Kolesár, Matúš Dubecký
The Journal of Chemical Physics
|
September 8, 2014
The work functions of Au/Mg decorated Au(100), Mg(001), and AuMg alloy surfaces: a theoretical study
Matúš Dubecký, František Dubecký
Journal of Chemical Theory and Computation
|
June 25, 2021
Noncovalent Interactions by the Quantum Monte Carlo Method: Strong Influence of Isotropic Jastrow Cutoff Radii
Roman Fanta, Matúš Dubecký
Journal of Computational Chemistry
|
December 15, 2020
Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in complexes with hydrogen bonds
Martin Šulka, Matúš Dubecký
Physical Review Letters
|
November 9, 2019
Fractional Charge by Fixed-Node Diffusion Monte Carlo Method
Matej Ditte, Matúš Dubecký
Journal of Computational Chemistry
|
September 22, 2023
Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride
Michal Novotný, Matúš Dubecký, František Karlický
The Journal of Physical Chemistry Letters
|
October 14, 2025
Why Nondynamic Correlation Matters for <i>ππ</i> Stacking? Lessons from the Benzene Dimer
Roman Fanta, Petr Jurečka, Matúš Dubecký
Page
of 3