Dr. Diederik Vanfleteren

Quick links

Go to A1 Publications / Other Publications / Invited talks / Conference talks / Posters / Funding

A1 Publications

Published

2012

Stockholder Projector Analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors , D. Vanfleteren, D. Van Neck, P. Bultinck, P.W. Ayers, M. Waroquier , Journal of Chemical Physics , 136, 014107 , 2012 , IF: 3.164 , 8/34 [Q1]

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 , D. Vanfleteren, D. Ghillemijn, D. Van Neck, P. Bultinck, M. Waroquier, P.W. Ayers , Journal of Computational Chemistry , 32 (16), 3485–3496 , 2011 , IF: 4.583 , 25/152 [Q1]

2010

Partitioning of the molecular density matrix over atoms and bonds , D. Vanfleteren, D. Van Neck, P. Bultinck, P.W. Ayers, M. Waroquier , Journal of Chemical Physics , 132, 164111 , 2010 , IF: 2.921 , 7/33 [Q1]
Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors , D. Vanfleteren, D. Van Neck, P. Bultinck, P.W. Ayers, M. Waroquier , Journal of Chemical Physics , 133, 231103 , 2010 , IF: 2.920 , 7/33 [Q1]

2009

Exact ionization potentials from wavefunction asymptotics: The extended Koopmans’ theorem, revisited , D. Vanfleteren, D. Van Neck, P.W. Ayers, R.C. Morrison, P. Bultinck , Journal of Chemical Physics , 130 (19), 194104 , 2009 , IF: 3.093

Other Publications

Dissertations

(D1) , The Atom-In-Molecule concept from a density-matrix perspective , D. Vanfleteren , Supervisor(s): Prof. Dr. Dimitri Van Neck, Prof. Dr. Patrick Bultinck , 10/10/2011

Keynote / Plenary / Invited talks

Talks

Posters

Funding