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An Efficient and Robust Implementation of CASSCF Linear Response Theory
2025-01-01 Nottoli, T.; Lapi, L.; Alessandro, R.; Gianni, I.; Pes, F.; Lipparini, F.
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
2023-01-01 Pes, Federica; Polack, Étienne; Mazzeo, Patrizia; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
2023-01-01 Alessandro, R.; Gianni', I.; Pes, F.; Nottoli, T.; Lipparini, F.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| An Efficient and Robust Implementation of CASSCF Linear Response Theory | 1-gen-2025 | Nottoli, T.; Lapi, L.; Alessandro, R.; Gianni, I.; Pes, F.; Lipparini, F. | |
| A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics | 1-gen-2023 | Pes, Federica; Polack, Étienne; Mazzeo, Patrizia; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo | |
| Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm | 1-gen-2023 | Alessandro, R.; Gianni', I.; Pes, F.; Nottoli, T.; Lipparini, F. |