4. Physics
  5. Chemical Physics

Diederik Vanfleteren

Physics – Chemical Physics

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Exact Ionization Potentials from Wavefunction Asymptotics: The Extended Koopmans' Theorem, Revisited

Physics – Chemical Physics
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Fast density-matrix based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density

Physics – Chemical Physics
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Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

Physics – Chemical Physics
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Partitioning of the molecular density matrix over atoms and bonds

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