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Journal of Chemical Theory and Computation
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February 9, 2026
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation
Enzo Monino, Daria Drwal, Pavel Beran, et al.
The Journal of Physical Chemistry Letters
|
September 30, 2016
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, et al.
The Journal of Chemical Physics
|
June 3, 2019
Quantum information-based analysis of electron-deficient bonds
Jan Brandejs, Libor Veis, Szilárd Szalay, et al.
The Journal of Physical Chemistry Letters
|
December 22, 2016
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, et al.
The Journal of Chemical Physics
|
September 1, 2019
Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)
Andrej Antalík, Libor Veis, Jiří Brabec, et al.
Journal of Computational Chemistry
|
December 30, 2020
Massively parallel quantum chemical density matrix renormalization group method
Jiri Brabec, Jan Brandejs, Karol Kowalski, et al.
The Journal of Chemical Physics
|
May 10, 2020
Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain
Jan Brandejs, Jakub Višňák, Libor Veis, et al.
Journal of the American Chemical Society
|
July 2, 2025
Multireference Theory of Scanning Tunneling Spectroscopy Beyond One-Electron Molecular Orbitals: Can We Image Molecular Orbitals?
Manish Kumar, Diego Soler-Polo, Marco Lozano, et al.
Journal of Chemical Theory and Computation
|
August 30, 2025
Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory
Nam Vu, Kenny Ampoh, Mikuláš Matoušek, et al.
Journal of Chemical Theory and Computation
|
April 11, 2020
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
Jakub Lang, Andrej Antalík, Libor Veis, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 50) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
February 9, 2026
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation
Enzo Monino, Daria Drwal, Pavel Beran, et al.
The Journal of Physical Chemistry Letters
|
September 30, 2016
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, et al.
The Journal of Chemical Physics
|
June 3, 2019
Quantum information-based analysis of electron-deficient bonds
Jan Brandejs, Libor Veis, Szilárd Szalay, et al.
The Journal of Physical Chemistry Letters
|
December 22, 2016
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions
Libor Veis, Andrej Antalík, Jiří Brabec, et al.
The Journal of Chemical Physics
|
September 1, 2019
Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)
Andrej Antalík, Libor Veis, Jiří Brabec, et al.
Journal of Computational Chemistry
|
December 30, 2020
Massively parallel quantum chemical density matrix renormalization group method
Jiri Brabec, Jan Brandejs, Karol Kowalski, et al.
The Journal of Chemical Physics
|
May 10, 2020
Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain
Jan Brandejs, Jakub Višňák, Libor Veis, et al.
Journal of the American Chemical Society
|
July 2, 2025
Multireference Theory of Scanning Tunneling Spectroscopy Beyond One-Electron Molecular Orbitals: Can We Image Molecular Orbitals?
Manish Kumar, Diego Soler-Polo, Marco Lozano, et al.
Journal of Chemical Theory and Computation
|
August 30, 2025
Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory
Nam Vu, Kenny Ampoh, Mikuláš Matoušek, et al.
Journal of Chemical Theory and Computation
|
April 11, 2020
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
Jakub Lang, Andrej Antalík, Libor Veis, et al.
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of 5