- Method for making 2-electron response reduced density matrices approximately N-representable(2018)
Auteurs: 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)
Auteurs: 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)
Auteurs: Klaas Gunst, Sebastian Wouters, Stijn De Baerdemacker, Dimitri Van Neck
- Maximum probability domains for Hubbard models(2016)
Auteurs: Guillaume Acke, Stijn De Baerdemacker, Pieter Claeys, Mario Van Raemdonck, Ward Poelmans, Dimitri Van Neck
Pagina's: 1392 - 1405
- Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron(2016)
Auteurs: Mario Van Raemdonck, Stijn De Baerdemacker, Guillaume Acke, Frank De Proft, Dimitri Van Neck, Patrick Bultinck
Aantal pagina's: 1
- CheMPS2 : improved DMRG-SCF routine and correlation functions(2015)
Auteurs: Sebastian Wouters, Ward Poelmans, Stijn De Baerdemacker, Paul W Ayers, Dimitri Van Neck
Pagina's: 235 - 237
- Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions(2015)
Auteurs: 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)
Auteurs: Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel, Stijn De Baerdemacker, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Diego R Alcoba, Dimitri Van Neck
Pagina's: 4064 - 4076
- Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints(2014)
Auteurs: Brecht Verstichel, Ward Poelmans, Stijn De Baerdemacker, Sebastian Wouters, Dimitri Van Neck
- The decomposition of U(n) into XU(n) and ZU(n)(2014)
Auteurs: Alexis De Vos, Stijn De Baerdemacker, Robert Wille
Pagina's: 173 - 177
