Research Explorer

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Researcher

Diederik Vanfleteren

Awards & Distinctions

7 Results

2012

Stockholder projector analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

Diederik VanfleterenDimitri Van NeckPatrick BultinckPaul W AyersMichel Waroquier

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2011

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

Diederik VanfleterenDieter GhillemijnDimitri Van NeckPatrick BultinckMichel WaroquierPaul W Ayers

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

The Atom-In-Molecule concept from a density-matrix perspective

Diederik VanfleterenDimitri Van NeckPatrick Bultinck

2010

Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

Diederik VanfleterenDimitri Van NeckPatrick BultinckPW AyersMichel Waroquier

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

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

Diederik VanfleterenDimitri Van NeckPatrick BultinckPaul W AyersMichel Waroquier

Partitioning of the molecular density matrix over atoms and bonds

Diederik VanfleterenDimitri Van NeckPatrick BultinckPaul W AyersMichel Waroquier

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2009

Exact ionization potentials from wavefunction asymptotics : the extended Koopmans' theorem, revisited

Diederik VanfleterenDimitri Van NeckPaul W AyersRobert C MorrisonPatrick Bultinck

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS