Show 10 5 10 15 20 50 100 250 Sort by year (new to old) Actions Download search results Subscribe to news feed Your filters: cql: keyword exact "doci" Add to list Journal Article A1 open access 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 Diego R Alcoba, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Ofelia B Ona, Eduardo M Honore, Ward Poelmans (UGent) , Dimitri Van Neck (UGent) , Patrick Bultinck (UGent) and Stijn De Baerdemacker (UGent) (2018) JOURNAL OF CHEMICAL PHYSICS. 148(2). Add to list Journal Article A1 Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods Diego R Alcoba, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Ofelia B Oña, Paul W Ayers, Mario Van Raemdonck (UGent) , Patrick Bultinck (UGent) and Dimitri Van Neck (UGent) (2016) THEORETICAL CHEMISTRY ACCOUNTS. 135(6). Add to list PhD Thesis open access Variational determination of the two-particle density matrix : the case of doubly-occupied space Ward Poelmans (UGent) (2015)