Brecht Verstichel

Publications

A1 publications

Published

2015

[A1 Publication] Variational optimization of the second order density matrix corresponding to a seniority-zero configuration interaction wave function

Authors

Poelmans W.; Van Raemdonck M.; Verstichel B.; De Baerdemacker S.; Torre A.; Lain L.; Massaccesi G.; Alcoba D.; Bultinck P.; Van Neck D.

Journal of Chemical Theory and Computation 2015. 11(9): 4064 - 4076.

http://dx.doi.org/10.1021/acs.jctc.5b00378

[A1 Publication] Variational optimization of the second order density matrix derived from a seniority-zero wave function

Authors

Poelmans W.; Van Raemdonck M.; Verstichel B.; De Baerdemacker S.; Torre A.; Lain L.; Massaccesi G.; Alcoba D.; Bultinck P.; Van Neck D.

Journal of Chemical Theory and Computation 2015. 11(9): 4064 - 4076. IF: 5.301 5/35 [Q1]

http://dx.doi.org/acs.jctc.5b00378

2014

[A1 Publication] Projector quantum Monte Carlo with matrix product states

Authors

Wouters S.; Verstichel B.; Van Neck D.; Chan G. K.-L.

Physical Review B 2014.

[A1 Publication] Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints

Authors

Verstichel B.; Poelmans W.; De Baerdemacker S.; Wouters S.; Van Neck D.

European Physical Journal B 2014. 87(3): 59.

http://dx.doi.org/10.1140/epjb/e2014-40788-x

2013

[A1 Publication] The sharp-G N-representability condition

Authors

Johnson P. A.; Ayers P. W.; Verstichel B.; Van Neck D.; van Aggelen H.

Computational and Theoretical Chemistry 2013. 1003(2013): 32-36.

http://dx.doi.org/10.1016/j.comptc.2012.09.029

[A1 Publication] Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parity

Authors

Verstichel B.; van Aggelen H.; Poelmans W.; Wouters S.; Van Neck D.

Computational and Theoretical Chemistry 2013. 1003(2013): 12-21.

http://dx.doi.org/10.1016/j.comptc.2012.09.014

[A1 Publication] Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices

Authors

van Aggelen H.; Verstichel B.; Acke G.; Degroote M.; Bultinck P.; Ayers P. W.; Van Neck D.

Computational and Theoretical Chemistry 2013. 1003(2013): 50-54.

http://dx.doi.org/10.1016/j.comptc.2012.09.036

2012

[A1 Publication] Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions

Authors

Verstichel B.; van Aggelen H.; Poelmans W.; Van Neck D.

Physical Review Letters 2012. 108(21): 213001. IF: 7.943 5/83 [Q1]

http://dx.doi.org/10.1103/PhysRevLett.108.213001

[A1 Publication] Considerations on describing non-singlet spin states in variational second order density matrix methods

Authors

van Aggelen H.; Verstichel B.; Bultinck P.; Van Neck D.; Ayers P. W.

Journal of Chemical Physics 2012. IF: 3.164 8/34 [Q1]

http://dx.doi.org/10.1063/1.3672087

2011

[A1 Publication] Variational density matrix optimization using semidefinite programming

Authors

Verstichel B.; van Aggelen H.; Van Neck D.; Ayers P. W.; Bultinck P.

Computer Physics Communications 2011. 182(9): 2025-2028.

http://dx.doi.org/10.1016/j.cpc.2010.12.034

[A1 Publication] A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix

Authors

Verstichel B.; van Aggelen H.; Van Neck D.; Bultinck P.; De Baerdemacker S.

Computer Physics Communications 2011. 182(6): 1235-1244.

http://dx.doi.org/10.1016/j.cpc.2011.02.005

[A1 Publication] Variational second order density matrix study of F3−: Importance of subspace constraints for size-consistency

Authors

van Aggelen H.; Verstichel B.; Bultinck P.; Van Neck D.; Ayers P. W.; Cooper D. L.

Journal of Chemical Physics 2011.

http://dx.doi.org/10.1063/1.3532409

2010

[A1 Publication] Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior

Authors

Verstichel B.; van Aggelen H.; Van Neck D.; Ayers P. W.; Bultinck P.

Journal of Chemical Physics 2010.

http://dx.doi.org/10.1063/1.3354911

[A1 Publication] Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series

Authors

van Aggelen H.; Verstichel B.; Bultinck P.; Van Neck D.; Ayers P. W.; Cooper D. L.

Journal of Chemical Physics 2010.

http://dx.doi.org/10.1063/1.3354910

2009

[A1 Publication] Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms

Authors

van Aggelen H.; Bultinck P.; Verstichel B.; Van Neck D.; Ayers P. W.

Physical Chemistry Chemical Physics 2009. 11(27): 5558-5560.

http://dx.doi.org/

[A1 Publication] Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon

Authors

Verstichel B.; van Aggelen H.; Van Neck D.; Ayers P. W.; Bultinck P.

Physical Review A 2009. 80(3): 032508.

http://dx.doi.org/10.1103/PhysRevA.80.032508

Other publications

Dissertations [MSc and PhD]

PhD thesis

2012

[PhD Thesis] Variational determination of the two-particle density matrix as a quantum many-body technique

Authors

Verstichel B.

Supervisor(s):

prof. dr. Dimitri Van Neck

prof. dr.

Bultinck P.

Doctor of Science: Physics, 30/03/2012.

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2011

[Invited talk] Nonstandard N-representability constraints and their application to chemical and physical systems

Authors

Van Neck D.; Verstichel B.; van Aggelen H.; Bultinck P.; Ayers P. W.

ACS Fall Meeting, Symposium on Reduced Density Matrices in Quantum Chemistry and Physics, Denver, US, 28/08/2011 - 01/09/2011

Talks

2014

[Talk] Auxiliary Field Quantum Monte-Carlo using Tensor Network States

Authors

Verstichel B.

Collaboration on the Many Electron Problem Fall 2014 Meeting, New York, US, 04/09/2014 - 05/09/2014

2012

[Talk] Variational optimization of second order density matrices: the past, the present and the future

Authors

van Aggelen H.; Verstichel B.; Bultinck P.; Van Neck D.; Ayers P. W.

DFTM2012, Ghent, BE, 01/04/2012 - 06/04/2012

2010

[Talk] Variational determination of the second-order density matrix

Authors

Verstichel B.

Conference on Computational Physics 2010 (CCP2010), Trondheim, NO, 23/06/2010 - 26/06/2010

2009

[Talk] Variational Reduced Density Matrix Theory: Successes and Failures

Authors

Ayers P. W.; Van Neck D.; Bultinck P.; van Aggelen H.; Verstichel B.

Seventh Canadian Computational Chemistry Conference (CCCC7), Halifax, CA, 20/07/2009 - 24/07/2009

[Talk] Dissociation curves from variational second order density matrices: an Atoms in Molecules perspective

Authors

Bultinck P.; van Aggelen H.; Verstichel B.; Van Neck D.; Ayers P. W.

92nd Canadian Chemistry Conference (CSC2009), Hamilton, CA, 30/05/2009 - 05/06/2009

Posters

2015

[Poster] Combining Projector Quantum Monte Carlo with Tensor Network methods

Authors

Verstichel B.

FOR1807, Würzberg, DE, 23/02/2015 - 26/02/2015

2014

[Poster] Projector quantum Monte Carlo with matrix product states

Authors

Verstichel B.; Wouters S.; Van Neck D.; Chan G. K.-L.

Low-scaling and Unconventional Electronic Structure Techniques Conference, Telluride, US, 01/06/2014 - 05/06/2014

2013

[Poster] Variational Determination of the Two-Particle Reduced Density Matrix on the GPU

Authors

Poelmans W.; Verstichel B.; Van Neck D.; Bultinck P.

MQM 2013, Lugano, CH, 02/06/2013 - 07/06/2013

[Poster] Reduced Density Matrix Optimization for the Two-Dimensional Hubbard Model

Authors

Verstichel B.; Poelmans W.; Wouters S.; De Baerdemacker S.; Van Neck D.

MQM 2013, Lugano, CH, 02/06/2013 - 07/06/2013

2012

[Poster] Reduced density matrix optimization for strongly correlated systems: a study of the one-dimensional Hubbard model

Authors

Verstichel B.

Networking tensor networks: many-body systems and simulations, Benasque, ES, 06/05/2012 - 18/05/2012

[Poster] Three particles constraint as linear inequalities in v2DM optimization

Authors

Poelmans W.; Verstichel B.; Van Neck D.

DFTM2012, Ghent, BE, 01/04/2012 - 06/04/2012

[Poster] Variational density study of the one-dimensional Hubbard model: the need for three-particle constraints

Authors

Verstichel B.; van Aggelen H.; Poelmans W.; Van Neck D.

DFTM2012, Ghent, BE, 01/04/2012 - 06/04/2012

2011

[Poster] 2.5-index conditions in a variational density matrix study of the one-dimensional Hubbard model

Authors

Verstichel B.

16th International Conference on Recent Progress in Many-Body Theories (RPMBT16) (2011), San Carlos de Bariloche, AR, 28/11/2011 - 05/12/2011

2009

[Poster] Chemical implications of variational second-order density matrix theory: study of diatomic molecules along the potential energy curve

Authors

van Aggelen H.; Verstichel B.; Ayers P. W.; Bultinck P.; Cooper D. L.; Van Neck D.

Workshop on Quantum Marginals and Density Matrices 2009, Toronto, CA, 27/07/2009 - 31/07/2009

[Poster] Variational determination of the second-order density matrix

Authors

Verstichel B.

92nd Canadian Chemistry Conference (CSC2009), Hamilton, CA, 30/05/2009 - 05/06/2009

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Brecht Verstichel

Publications

A1 publications

Published

2015

2014

2013

2012

2011

2010

2009

Other publications

Dissertations [MSc and PhD]

PhD thesis

2012

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2011

Talks

2014

2012

2010

2009

Posters

2015

2014

2013

2012

2011

2009

Contact information

References