Researcher
Dimitri Van Neck
- Keywords:quantum many-body physics
- Disciplines:Quantum chemistry, Quantum physics not elsewhere classified
Affiliations
- Department of Physics and astronomy (Department)
Member
From16 Jan 2020 → 30 Apr 2023 - Department of Physics and astronomy (Department)
Responsible
From16 Jan 2020 → 30 Apr 2023 - Department of Physics and astronomy (Department)
Member
From1 Jan 1993 → Today
Projects
1 - 10 of 19
- Control of external potentials in a Bose-Einstein CondensateFrom1 May 2020 → TodayFunding: FWO Medium Size Research Infrastructure
- Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.From1 Oct 2019 → TodayFunding: BOF - projects
- Matrix product states in quantum many-body physics: towards higher accuracy by uncontracted dynamical correlation methodsFrom1 Oct 2016 → 30 Sep 2020Funding: FWO fellowships
- A complete treatment of electron correlation in large strongly correlated systems, based on a fast single-step algorithm for the self-consistent determination of the active space with the density matrix renormalization group.From1 Oct 2015 → 31 Oct 2017Funding: FWO fellowships
- Pairing correlations in quantum systems: algebraic and variational approachesFrom1 Oct 2014 → 30 Sep 2018Funding: FWO fellowships, BOF - Other initiatives
- Geminal-based description of strong electron correlations in quantum chemistryFrom1 Jan 2014 → 31 Dec 2019Funding: FWO research project (including WEAVE projects)
- Variational determination of the density matrix for strongly correlated systemsFrom1 Oct 2012 → 30 Sep 2015Funding: BOF - Other initiatives, FWO fellowships
- Variational renormalization group methods applied to molecular systemsFrom1 Oct 2010 → 30 Sep 2014Funding: FWO fellowships, BOF - Other initiatives
- Quantum chemical aspects in electronic structure determination using semidefinite optimization of the the two-particle density matrixFrom1 Jan 2010 → 31 Dec 2015Funding: FWO research project (including WEAVE projects)
- Variationally optimized density matrices in relation to chemical bondingFrom1 Oct 2009 → 30 Sep 2013Funding: BOF - Other initiatives, FWO fellowships
Publications
41 - 50 of 117
- Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions(2012)
Authors: Brecht Verstichel, Helen van Aggelen, Ward Poelmans, Dimitri Van Neck
- On the thermal stability of vacancy-carbon complexes in alpha iron(2012)
Authors: D Terentyev, G Bonny, Alexander Bakaev, Dimitri Van Neck
- Variational density study of the one-dimensional Hubbard model : the need for three-particle constraints(2012)
Authors: Brecht Verstichel, Helen van Aggelen, Ward Poelmans, Dimitri Van Neck
Pages: P38 - P38 - A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss(2011)
Authors: Dieter Ghillemijn, Dimitri Van Neck, Paul W. Ayers
Pages: 1561 - 1567 - Nonstandard N-representability constraints and their application to chemical and physical systems(2011)
Authors: Dimitri Van Neck, Brecht Verstichel, Helen van Aggelen, Patrick Bultinck, Paul W Ayers
Number of pages: 1 - Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density(2011)
Authors: Diederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, Paul W Ayers
Pages: 3485 - 3496 - Atomic velocity projection method: a new analysis method for vibrational spectra in terms of internal coordinates for a better understanding of zeolite nanogrowth(2011)
Authors: Marc Van Houteghem, Toon Verstraelen, Dimitri Van Neck, Christine Kirschhock, Johan A Martens
Pages: 1045 - 1061 - The significance of parameters in charge equilibration models(2011)
Authors: Toon Verstraelen, PW Ayers, Dimitri Van Neck
Pages: 1750 - 1764 - A new variational, information theory based atoms in molecules method(2010)
Authors: Dieter Ghillemijn, Dimitri Van Neck, Paul Ayers
Number of pages: 1 - Subsystem constraints in variational second order density matrix optimization : curing the dissociative behavior(2010)
Authors: Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Paul W Ayers, Patrick Bultinck