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A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals
2021-01-01 Nottoli, T.; Gauss, J.; Lipparini, F.
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
2021-01-01 Nottoli, Tommaso; Gauss, Jürgen; Lipparini, Filippo
Is There a Quadruple Fe-C Bond in FeC(CO)3?
2021-01-01 Nottoli, Tommaso; Lipparini, Filippo
Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals
2022-01-01 Gauss, J.; Blaschke, S.; Burger, S.; Nottoli, T.; Lipparini, F.; Stopkowicz, S.
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
2022-01-01 Nottoli, T.; Burger, S.; Stopkowicz, S.; Gauss, J.; Lipparini, F.
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
2023-01-01 Alessandro, R.; Gianni', I.; Pes, F.; Nottoli, T.; Lipparini, F.
A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry
2023-01-01 Nottoli, Tommaso; Gianni', Ivan; Levitt, A.; Lipparini, Filippo
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
2023-01-01 Nottoli, T.; Gauss, J.; Lipparini, F.
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
2024-01-01 Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
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