Dimitri Van Neck

Publication Activity (10 Years)

Years Active: 2010-2022
Publications (10 Years): 1

Top Topics

Implementation Details

Correlation Function

Top Venues

Comput. Phys. Commun.

J. Comput. Chem.

Publications

Daria Tolstykh, Laurent Lemmens, Stijn De Baerdemacker, Dimitri Van Neck, Patrick Bultinck, Guillaume Acke
Uncovering Clar's aromatic -sextet rule in the Hubbard model using Maximum Probability Domain Partitions. J. Comput. Chem. 43 (7) (2022)
Sebastian Wouters, Ward Poelmans, Stijn De Baerdemacker, Paul W. Ayers, Dimitri Van Neck
CheMPS2: Improved DMRG-SCF routine and correlation functions. Comput. Phys. Commun. 191 (2015)
Sebastian Wouters, Ward Poelmans, Paul W. Ayers, Dimitri Van Neck
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry. Comput. Phys. Commun. 185 (6) (2014)
Diederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, Patrick Bultinck, Michel Waroquier, Paul W. Ayers
Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density. J. Comput. Chem. 32 (16) (2011)
Dieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, Paul W. Ayers
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss. J. Comput. Chem. 32 (8) (2011)
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Patrick Bultinck, Stijn De Baerdemacker
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix. Comput. Phys. Commun. 182 (6) (2011)
Matthias Degroote, Dimitri Van Neck, Carlo Barbieri
Faddeev Random Phase Approximation for molecules. Comput. Phys. Commun. 182 (9) (2011)
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Paul W. Ayers, Patrick Bultinck
Variational density matrix optimization using semidefinite programming. Comput. Phys. Commun. 182 (9) (2011)
An Ghysels, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R. Brooks, Dimitri Van Neck, Michel Waroquier
Comparative study of various normal mode analysis techniques based on partial Hessians. J. Comput. Chem. 31 (5) (2010)