Researcher
Helen van Aggelen
- Disciplines:Inorganic chemistry, Physical chemistry
Affiliations
- Department of Chemistry (Department)
Member
From1 Oct 2007 → 30 Sep 2015
Projects
1 - 2 of 2
- Solving fundamental problems faced by approximate Density Functional Theoretical methods using techniques from many-body theory.From1 Oct 2012 → 30 Jun 2015Funding: FWO fellowships, BOF - Other initiatives
- Variationally optimized density matrices in relation to chemical bondingFrom1 Oct 2009 → 30 Sep 2013Funding: BOF - Other initiatives, FWO fellowships
Publications
1 - 10 of 32
- Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation(2014)
Authors: Helen van Aggelen, Yang Yang, Weitao Yang
- Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes(2014)
Authors: Guillaume Acke, Helen van Aggelen, Paul W Ayers, Dimitri Van Neck, Carlos Cardenas
Pages: 295 - 295 - Linear-response time-dependent density-functional theory with pairing fields(2014)
Authors: Degao Peng, Helen van Aggelen, Yang Yang, Weitao Yang
- Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices(2013)
Authors: Helen van Aggelen, Brecht Verstichel, Guillaume Acke, Matthias Degroote, Paul W Ayers, Dimitri Van Neck
Pages: 50 - 54 - Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes(2013)
Authors: Guillaume Acke, Helen van Aggelen, Paul W Ayers, Carlos Cardenas
Number of pages: 1 - Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles(2013)
Authors: Degao Peng, Stephan N Steinmann, Helen van Aggelen, Weitao Yang
- Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes : exploiting translational invariance and parity(2013)
Authors: Brecht Verstichel, Helen van Aggelen, Ward Poelmans, Sebastian Wouters, Dimitri Van Neck
Pages: 12 - 21 - Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation(2013)
Authors: Helen van Aggelen, Yang Yang, Weitao Yang
- The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(rU+2074) scaling(2013)
Authors: Neil Shenvi, Helen van Aggelen, Yang Yang, Weitao Yang, Christine Schwerdtfeger, David Mazziotti
- Benchmark tests and spin adaptation for the particle-particle random phase approximation(2013)
Authors: Yang Yang, Helen van Aggelen, Stephan N Steinmann, Degao Peng, Weitao Yang