Research Explorer

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Researcher

Dieter Ghillemijn

Awards & Distinctions

4 Results

2011

A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss

Dieter GhillemijnPatrick BultinckDimitri Van NeckPaul W. Ayers

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

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

2010

(Is there) chemistry in momentum space

Patrick BultinckDieter GhillemijnJelle VandenbusscheDimitri Van NeckRamon Carbo-Dorca Carre

A new variational, information theory based atoms in molecules method

Dieter GhillemijnDimitri Van NeckPaul AyersPatrick Bultinck