Researcher
Ward Poelmans
- Disciplines:Atomic physics, Electronic (transport) properties
Affiliations
- Department of Physics and astronomy (Department)
Member
From1 Jan 2010 → 30 Sep 2015
Publications
1 - 10 of 16
- 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
- Reproducibility in density functional theory calculations of solids(2016)
Authors: Kurt Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, D Caliste, IE Castelli, SJ Clark, A Dal Corso, et al.
Pages: 1415 - U81 - 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 - 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 - Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions(2015)
Authors: Mario Van Raemdonck, Diego R Alcoba, Ward Poelmans, Stijn De Baerdemacker, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Dimitri Van Neck
- Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function(2015)
Authors: Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel, Stijn De Baerdemacker, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Diego R Alcoba, Dimitri Van Neck
Pages: 4064 - 4076 - Variational determination of the two-particle density matrix : the case of doubly-occupied space(2015)
Authors: Ward Poelmans
- CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry(2014)
Authors: Sebastian Wouters, Ward Poelmans, Paul W Ayers, Dimitri Van Neck
Pages: 1501 - 1514 - Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints(2014)
Authors: Brecht Verstichel, Ward Poelmans, Stijn De Baerdemacker, Sebastian Wouters, Dimitri Van Neck
- Critical analysis of the accuracy of models predicting or extracting liquid structure information(2014)
Authors: Marc Van Houteghem, Toon Verstraelen, Ward Poelmans
Pages: 2451 - 2470