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Helen van Aggelen
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Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation
H van Aggelen, Y Yang, W Yang
Physical Review A 88 (3), 030501, 2013
892013
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon
B Verstichel, H van Aggelen, D Van Neck, PW Ayers, P Bultinck
Physical Review A 80 (3), 032508, 2009
682009
Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation
Y Yang, H van Aggelen, W Yang
The Journal of Chemical Physics 139 (22), 224105, 2013
602013
Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles
D Peng, SN Steinmann, H van Aggelen, W Yang
The Journal of Chemical Physics 139 (10), 104112, 2013
542013
Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior
B Verstichel, H van Aggelen, D Van Neck, PW Ayers, P Bultinck
The Journal of chemical physics 132 (11), 114113, 2010
522010
Benchmark tests and spin adaptation for the particle-particle random phase approximation
Y Yang, H van Aggelen, SN Steinmann, D Peng, W Yang
The Journal of chemical physics 139 (17), 174110, 2013
462013
Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms
H Van Aggelen, P Bultinck, B Verstichel, D Van Neck, PW Ayers
Physical Chemistry Chemical Physics 11 (27), 5558-5560, 2009
442009
Chemical verification of variational second-order density matrix based potential energy surfaces for the isoelectronic series
H van Aggelen, B Verstichel, P Bultinck, D Van Neck, PW Ayers, ...
The Journal of chemical physics 132 (11), 114112, 2010
402010
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation
H van Aggelen, Y Yang, W Yang
The Journal of chemical physics 140 (18), 18A511, 2014
372014
Linear-response time-dependent density-functional theory with pairing fields
D Peng, H van Aggelen, Y Yang, W Yang
The Journal of Chemical Physics 140 (18), 18A522, 2014
362014
Variational two-particle density matrix calculation for the hubbard model below half filling using spin-adapted lifting conditions
B Verstichel, H van Aggelen, W Poelmans, D Van Neck
Physical Review Letters 108 (21), 213001, 2012
362012
A primal–dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
B Verstichel, H van Aggelen, D Van Neck, P Bultinck, S De Baerdemacker
Computer Physics Communications 182 (6), 1235-1244, 2011
342011
Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r6) to O(r4)
N Shenvi, H Van Aggelen, Y Yang, W Yang
The Journal of Chemical Physics 141 (2), 024119, 2014
222014
The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r4) scaling
N Shenvi, H Van Aggelen, Y Yang, W Yang, C Schwerdtfeger, D Mazziotti
The Journal of Chemical Physics 139 (5), 054110, 2013
212013
Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices
H van Aggelen, B Verstichel, G Acke, M Degroote, P Bultinck, PW Ayers, ...
Computational and Theoretical Chemistry 1003, 50-54, 2013
182013
Many-electron expansion: A density functional hierarchy for strongly correlated systems
T Zhu, P de Silva, H van Aggelen, T Van Voorhis
Physical Review B 93 (20), 201108, 2016
162016
Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parity
B Verstichel, H van Aggelen, W Poelmans, S Wouters, D Van Neck
Computational and Theoretical Chemistry 1003, 12-21, 2013
152013
Variational second order density matrix study of : Importance of subspace constraints for size-consistency
H van Aggelen, B Verstichel, P Bultinck, DV Neck, PW Ayers, DL Cooper
The Journal of chemical physics 134 (5), 054115, 2011
152011
TOXICITY OF ALLYL ESTERS IN INSECT CELL LINES AND IN SPODOPTERA LITTORALIS LARVAE
M Giner, J Avilla, M Balcells, S Caccia, G Smagghe
Archives of Insect Biochemistry and Physiology 79 (1), 18-30, 2012
142012
Considerations on describing non-singlet spin states in variational second order density matrix methods
H van Aggelen, B Verstichel, P Bultinck, D Van Neck, PW Ayers
The Journal of Chemical Physics 136 (1), 014110, 2012
122012
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