Lipparini, Filippo
- The QUEST Database of Highly-Accurate Excitation Energies
2025/06/13 by Pierre‐François Loos, Pierre-François Loos, Martial Boggio‐Pasqua +9 · 1 voice · 11 citations
Physics and Astronomy · Materials Science · #physics.chem-ph #cond-mat.mtrl-sci #cond-mat.str-el #nucl-th #physics.comp-ph
- Cholesky decomposition in spin-free Dirac-Coulomb coupled-cluster calculations
2024/06/30 by Tereza Uhlířová, Davide Cianchino, Uhlířová, Tereza +7 · 4 citations
Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Inorganic Chemistry and Materials #Inorganic Fluorides and Related Compounds
- Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wavefunctions
2024/04/23 by Laurent Vidal, Vidal, Laurent, Tommaso Nottoli +5 · 3 citations
Engineering · #49R05 #53Z15 #65K10 #81V74 #Dynamics and Control of Mechanical Systems #FOS: Mathematics #FOS: Physical sciences #Optimization and Control (math.OC) #Quantum Physics (quant-ph)
- A Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
2021/04/08 by Nottoli, Tommaso, Gauss, Jürgen, Lipparini, Filippo · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
2023/12/06 by Tommaso Nottoli, Jürgen Gauß, Nottoli, Tommaso +3 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Fullerene Chemistry and Applications #Nuclear physics research studies
- Grassmann extrapolation of density matrices for Born-Oppenheimer molecular dynamics
2021/07/28 by Polack, Etienne, Dusson, Geneviève, Stamm, Benjamin +1 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- The OpenMMPol Library for Polarizable QM/MM Calculations of Properties and Dynamics
2024/01/26 by Mattia Bondanza, Bondanza, Mattia, Tommaso Nottoli +9 · 1 citation
Materials Science · Physics and Astronomy · Earth and Planetary Sciences · #ZnO doping and properties #Physics of Superconductivity and Magnetism #Atmospheric Ozone and Climate
- A Cholesky decomposition-based implementation of relativistic two-component coupled-cluster methods for medium-sized molecules
2023/09/16 by Zhang, Chaoqun, Lipparini, Filippo, Stopkowicz, Stella +2 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular Dynamics
2023/07/11 by Pes, Federica, Polack, Ètienne, Mazzeo, Patrizia +3 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft)