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Journal of Chemical Theory and Computation
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November 1, 2021
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Chemical Physics
|
December 15, 2023
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Physical Chemistry Letters
|
September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit
Janus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
December 4, 2023
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
The Journal of Physical Chemistry Letters
|
March 3, 2025
Correction to "Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap"
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
Journal of Chemical Theory and Computation
|
October 8, 2021
Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular Dynamics
Étienne Polack, Geneviève Dusson, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation
|
September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
Michele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. B
|
October 20, 2022
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library
Michele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions
Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story?
Filippo Lipparini, Franco Egidi, Chiara Cappelli, et al.
Page
of 14
Search research articles
Search
Showing results (31-40 of 139) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
November 1, 2021
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Chemical Physics
|
December 15, 2023
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Physical Chemistry Letters
|
September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit
Janus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
December 4, 2023
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
The Journal of Physical Chemistry Letters
|
March 3, 2025
Correction to "Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap"
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
Journal of Chemical Theory and Computation
|
October 8, 2021
Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular Dynamics
Étienne Polack, Geneviève Dusson, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation
|
September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
Michele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. B
|
October 20, 2022
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library
Michele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions
Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story?
Filippo Lipparini, Franco Egidi, Chiara Cappelli, et al.
Page
of 14