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Publications by Vincent Tognetti
On Atoms-In-Molecules Energies From Kohn-Sham Calculations
ChemPhysChem
Theoretical Chemistry
Physical
Optics
Atomic
Molecular Physics,
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Interpretation of the Kohn–Sham Orbital Energies as Approximate Vertical Ionization Potentials
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Nonadditive Kinetic Potentials From Inverted Kohn-Sham Problem
International Journal of Quantum Chemistry
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Assigning Photoelectron Spectra of Transition Metal Organometallic Complexes on the Basis of Kohn-Sham Orbital Energies
ERRATUM: Nonadditive Kinetic Potentials From Inverted Kohn-Sham Problem
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On the Required Shape Corrections to the Local Density and Generalized Gradient Approximations to the Kohn–Sham Potentials for Molecular Response Calculations of (Hyper)polarizabilities and Excitation Energies
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Kohn-Sham Orbitals and Potentials From Quantum Monte Carlo Molecular Densities
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Bypassing the Kohn-Sham Equations With Machine Learning
Nature Communications
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All-Electron Four-Component Dirac-Kohn-Sham Procedure for Large Molecules and Clusters Containing Heavy Elements
Physical Review B
Exact Generalized Kohn-Sham Theory for Hybrid Functionals
