Diederik Vanfleteren

Publications

A1 publications

Published

2012

[A1 Publication] Stockholder Projector Analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

Authors

Vanfleteren D.; Van Neck D.; Bultinck P.; Ayers P. W.; Waroquier M.

Journal of Chemical Physics 2012.

http://dx.doi.org/10.1063/1.3673321

2011

[A1 Publication] Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density

Authors

Vanfleteren D.; Ghillemijn D.; Van Neck D.; Bultinck P.; Waroquier M.; Ayers P. W.

Journal of Computational Chemistry 2011. 32(16): 3485 - 3496. IF: 4.583 26/154 [Q1]

http://dx.doi.org/10.1002/jcc.21933

2010

[A1 Publication] Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

Authors

Vanfleteren D.; Van Neck D.; Bultinck P.; Ayers P. W.; Waroquier M.

Journal of Chemical Physics 2010.

http://dx.doi.org/10.1063/1.3521493

[A1 Publication] Partitioning of the molecular density matrix over atoms and bonds

Authors

Vanfleteren D.; Van Neck D.; Bultinck P.; Ayers P. W.; Waroquier M.

Journal of Chemical Physics 2010.

http://dx.doi.org/10.1063/1.3394018

2009

[A1 Publication] Exact ionization potentials from wavefunction asymptotics: The extended Koopmans’ theorem, revisited

Authors

Vanfleteren D.; Van Neck D.; Ayers P. W.; Morrison R. C.; Bultinck P.

Journal of Chemical Physics 2009. 130(19): 194104.

Other publications

Dissertations [MSc and PhD]

PhD thesis

2011

[PhD Thesis] The Atom-In-Molecule concept from a density-matrix perspective

Authors

Vanfleteren D.

Supervisor(s):

prof. dr. Dimitri Van Neck

prof. dr.

Bultinck P.

Doctor of Science: Physics, 10/10/2011.

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Diederik Vanfleteren

Publications

A1 publications

Published

2012

2011

2010

2009

Other publications

Dissertations [MSc and PhD]

PhD thesis

2011

Contact information

References