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Publications by Fredrik Moller
Accurate Kohn-Sham Potential for The1s2s3Sstate of the Helium Atom: Tests of the Locality and the Ionization-Potential Theorems
Canadian Journal of Physics
Astronomy
Physics
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Interpretation of the Kohn–Sham Orbital Energies as Approximate Vertical Ionization Potentials
Journal of Chemical Physics
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Exchange Potential From the Common Energy Denominator Approximation for the Kohn–Sham Green’s Function: Application to (Hyper)polarizabilities of Molecular Chains
Journal of Chemical Physics
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What Do We Learn From the Classical Turning Surface of the Kohn-Sham Potential as Electron Number Is Varied Continuously?
Bypassing the Kohn-Sham Equations With Machine Learning
Nature Communications
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Erratum: Helium‐Atom–Hydrogen‐Molecule Potential Surface Employing the LCAO–MO–SCF and CI Methods
Journal of Chemical Physics
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Improved Upper Bounds for the Atomic Ionization Potential
International Journal of Quantum Chemistry
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Accurate Real-Time Evolution of Electron Densities and Ground-State Properties From Generalized Kohn-Sham Theory
Physical Review A
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The Ionization of Helium by Neutral Helium Atoms
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
Mathematics
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Exact Generalized Kohn-Sham Theory for Hybrid Functionals