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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. 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.
The Journal of Physical Chemistry. A
|
March 2, 2026
A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry
Luca Melega, Tommaso Nottoli, Jürgen Gauss, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A
|
September 13, 2024
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, et al.
The Journal of Chemical Physics
|
September 1, 2022
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
Tommaso Nottoli, Sophia Burger, Stella Stopkowicz, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
Riccardo Alessandro, Ivan Giannì, Federica Pes, et al.
The Journal of Physical Chemistry. A
|
August 27, 2025
An Efficient and Robust Implementation of CASSCF Linear Response Theory
Tommaso Nottoli, Lorenzo Lapi, Riccardo Alessandro, et al.
The Journal of Chemical Physics
|
April 1, 2024
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
Mattia Bondanza, Tommaso Nottoli, Michele Nottoli, et al.
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Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
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. 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.
The Journal of Physical Chemistry. A
|
March 2, 2026
A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry
Luca Melega, Tommaso Nottoli, Jürgen Gauss, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A
|
September 13, 2024
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, et al.
The Journal of Chemical Physics
|
September 1, 2022
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
Tommaso Nottoli, Sophia Burger, Stella Stopkowicz, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
Riccardo Alessandro, Ivan Giannì, Federica Pes, et al.
The Journal of Physical Chemistry. A
|
August 27, 2025
An Efficient and Robust Implementation of CASSCF Linear Response Theory
Tommaso Nottoli, Lorenzo Lapi, Riccardo Alessandro, et al.
The Journal of Chemical Physics
|
April 1, 2024
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
Mattia Bondanza, Tommaso Nottoli, Michele Nottoli, et al.
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