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
11 - 19 of 19
- Alliance Research Group: Quantum Chemistry - Molecular ModellingFrom1 Apr 2009 → 14 Jul 2018Funding: Own budget, for example: patrimony, inscription fees, gifts
- Development of density-functional-theory based interatomic potentials for ternary Fe-based alloys consistent with thermodynamics for radiation effect studies.From1 Jan 2009 → 31 Dec 2014Funding: FWO research project (including WEAVE projects)
- Expansion computational capacity (IBM p575 system based on Power6 ProcessorFrom1 Jan 2009 → 31 Dec 2010Funding: BOF - Other initiatives
- Electronic structure calculations in molecular systems using the density functional theory for quasiparticlesFrom1 Oct 2008 → 30 Sep 2012Funding: BOF - Other initiatives, FWO fellowships
- Reduction of the N-particle problem to two-particle space using a variational determination of the two-particle density matrixFrom1 Oct 2008 → 30 Sep 2012Funding: BOF - Doctoral projects
- Many-body systems: from independent particles to collective behaviourFrom1 Oct 2008 → 30 Sep 2014Funding: BOF - Other initiatives, FWO fellowships
- Properties of density matrices / Atoms in moleculesFrom18 Aug 2008 → 17 Jan 2009Funding: BOF - Other initiatives
- Molecular modeling of paramagnetic radiation-induced defects in solidsFrom1 Jan 2008 → 30 Dec 2013Funding: FWO research project (including WEAVE projects)
- Ab initio study of wave function based and variationally optimized density matrices in relation to chemical bondingFrom1 Oct 2007 → 1 Oct 2009Funding: BOF - Doctoral projects
Publications
1 - 10 of 117
- Method for making 2-electron response reduced density matrices approximately N-representable(2018)
Authors: Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, Stijn De Baerdemacker, Klaas Gunst, Patrick Bultinck
- Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions : the influence of three-index N-representability conditions(2018)
Authors: Diego R Alcoba, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Ofelia B Ona, Eduardo M Honore, Ward Poelmans, Dimitri Van Neck, Stijn De Baerdemacker
- Block product density matrix embedding theory for strongly correlated spin systems(2017)
Authors: Klaas Gunst, Sebastian Wouters, Stijn De Baerdemacker, Dimitri Van Neck
- Maximum probability domains for Hubbard models(2016)
Authors: Guillaume Acke, Stijn De Baerdemacker, Pieter Claeys, Mario Van Raemdonck, Ward Poelmans, Dimitri Van Neck
Pages: 1392 - 1405 - Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron(2016)
Authors: Mario Van Raemdonck, Stijn De Baerdemacker, Guillaume Acke, Frank De Proft, Dimitri Van Neck, Patrick Bultinck
Number of pages: 1 - DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes(2016)
Authors: Sebastian Wouters, Veronique Van Speybroeck, Dimitri Van Neck
- Glide of dislocations in < 1 1 1 >{321} slip system: an atomistic study(2016)
Authors: D Terentyev, Alexander Bakaev, Dimitri Van Neck, EE Zhurkin
Pages: 71 - 83 - Energetic stability of solute-carbon-vacancy complexes in bcc iron(2015)
Authors: Alexander Bakaev, Dmitry Terentyev, Evgeny E Zhurkin, Dimitri Van Neck
Pages: 47 - 50 - PPV polymerization through the Gilch route: diradical character of monomers(2015)
Authors: JD Nikolic, Sebastian Wouters, J Romanova, A Shimizu, B Champagne, T Junkers, D Vanderzande, Dimitri Van Neck, Saron Catak
Pages: 19176 - 19185 - CheMPS2 : improved DMRG-SCF routine and correlation functions(2015)
Authors: Sebastian Wouters, Ward Poelmans, Stijn De Baerdemacker, Paul W Ayers, Dimitri Van Neck
Pages: 235 - 237