Ward Poelmans

Ghent University — Belgium

Physics and Astronomy · Physical Sciences

9h-index2.0kcitations18works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Physics of Superconductivity and Magnetism(6), Spectroscopy and Quantum Chemical Studies(4), Quantum and electron transport phenomena(3), Advanced NMR Techniques and Applications(3)

Publications18 total

Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index <i>N</i>-representability conditions
The Journal of Chemical Physics·2018· 33 citedOpen Access
Reproducibility in density functional theory calculations of solids
Science·2016· 1.6k citedOpen Access
Maximum probability domains for Hubbard models
Molecular Physics·2016· 11 citedOpen Access
Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions
The Journal of Chemical Physics·2015· 39 citedOpen Access
Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
Journal of Chemical Theory and Computation·2015· 58 citedOpen Access
CheMPS2 : Improved DMRG-SCF routine and correlation functions
Computer Physics Communications·2015· 16 cited
Variational determination of the two-particle density matrix : the case of doubly-occupied space
Ghent University Academic Bibliography (Ghent University)·2015· 8 citedOpen Access
Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints
The European Physical Journal B·2014· 3 citedOpen Access
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
Computer Physics Communications·2014· 186 citedOpen Access
Critical Analysis of the Accuracy of Models Predicting or Extracting Liquid Structure Information
The Journal of Physical Chemistry B·2014· 7 cited
Critical Analysis of the Accuracy of Models Predicting or Extracting Liquid Structure Information B
The Journal of Physical Chemistry·2014
Variational determination of the two-particle reduced density matrix on the GPU
Ghent University Academic Bibliography (Ghent University)·2013Open Access
Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parity
Computational and Theoretical Chemistry·2012· 11 citedOpen Access
Variational Two-Particle Density Matrix Calculation for the Hubbard Model Below Half Filling Using Spin-Adapted Lifting Conditions
Physical Review Letters·2012· 45 citedOpen Access
Variational density study of the one-dimensional Hubbard model : the need for three-particle constraints
Ghent University Academic Bibliography (Ghent University)·2012
Three particles constraint as linear inequalities in v2DM optimization
Ghent University Academic Bibliography (Ghent University)·2012
Variational two-particle density matrix calculation for the Hubbard model below half-filling: the 2.5-index conditions
arXiv (Cornell University)·2011Open Access
Reduced density matrix optimization using the boundary point
Ghent University Academic Bibliography (Ghent University)·2011

Frequent Co-authors

Dimitri Van Neck(13), Brecht Verstichel(8), Stijn De Baerdemacker(6), Patrick Bultinck(5), Sebastian Wouters(4), Helen van Aggelen(4), Véronique Van Speybroeck(3), Mario Van Raemdonck(3), Alicia Torre(3), Luis Laín(3), Gustavo E. Massaccesi(3), Diego R. Alcoba(3), Paul W. Ayers(2), Marc Van Houteghem(2), An Ghysels(2), Toon Verstraelen(2), Michel Waroquier(2), Kurt Lejaeghere(1), Gustav Bihlmayer(1), Torbjörn Björkman(1)