Dimitri Van Neck - researchr alias

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Viewing Publication 1 - 9 from 9

2022

Uncovering Clar's aromatic -sextet rule in the Hubbard model using Maximum Probability Domain PartitionsDaria Tolstykh, Laurent Lemmens, Stijn De Baerdemacker, Dimitri Van Neck, Patrick Bultinck, Guillaume Acke. jcc, 43(7):457-464, 2022. [doi]

2015

CheMPS2: Improved DMRG-SCF routine and correlation functionsSebastian Wouters, Ward Poelmans, Stijn De Baerdemacker, Paul W. Ayers, Dimitri Van Neck. cphysics, 191:235-237, 2015. [doi]

2014

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistrySebastian Wouters, Ward Poelmans, Paul W. Ayers, Dimitri Van Neck. cphysics, 185(6):1501-1514, 2014. [doi]

2011

Faddeev Random Phase Approximation for moleculesMatthias Degroote, Dimitri Van Neck, Carlo Barbieri. cphysics, 182(9):1995-1998, 2011. [doi]

A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information lossDieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, Paul W. Ayers. jcc, 32(8):1561-1567, 2011. [doi]

Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron densityDiederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, Patrick Bultinck, Michel Waroquier, Paul W. Ayers. jcc, 32(16):3485-3496, 2011. [doi]

Variational density matrix optimization using semidefinite programmingBrecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Paul W. Ayers, Patrick Bultinck. cphysics, 182(9):2025-2028, 2011. [doi]

A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrixBrecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Patrick Bultinck, Stijn De Baerdemacker. cphysics, 182(6):1235-1244, 2011. [doi]

2010

Comparative study of various normal mode analysis techniques based on partial HessiansAn Ghysels, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R. Brooks, Dimitri Van Neck, Michel Waroquier. jcc, 31(5):994-1007, 2010. [doi]

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