Ghent University Academic Bibliography

Mark

Method for making 2-electron response reduced density matrices approximately N-representable

Caitlin Lanssens (UGent) , Paul W Ayers, Dimitri Van Neck (UGent) , Stijn De Baerdemacker (UGent) , Klaas Gunst (UGent) and Patrick Bultinck (UGent)

(2018) JOURNAL OF CHEMICAL PHYSICS. 148(8).

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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).

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journalArticle
A1
open access

Block product density matrix embedding theory for strongly correlated spin systems

Klaas Gunst (UGent) , Sebastian Wouters (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)

(2017) PHYSICAL REVIEW B. 95(19).

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Strategies for extending geminal-based wavefunctions : open shells and beyond

Paul A Johnson, Peter A Limacher, Taewon D Kim, Michael Richer, Ramon Alain Miranda-Quintana, Farnaz Heidar Zadeh (UGent) , Paul W Ayers, Patrick Bultinck (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)

(2017) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1116. p.207-219

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Variational method for integrability-breaking Richardson-Gaudin models

Pieter Claeys (UGent) , Jean-Sébastien Caux, Dimitri Van Neck (UGent) and Stijn De Baerdemacker (UGent)

(2017) PHYSICAL REVIEW B. 96(15).

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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).

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Atom and bond Fukui functions and matrices : a Hirshfeld-I atoms-in-molecule approach

Ofelia B Oña, Olivier De Clercq (UGent) , Diego R Alcoba, Alicia Torre, Luis Lain, Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2016) CHEMPHYSCHEM. 17(18). p.2881-2889

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Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron

Mario Van Raemdonck (UGent) , Stijn De Baerdemacker (UGent) , Guillaume Acke (UGent) , Frank De Proft, Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2016) Abstract book : Solvay workshop on 'Conceptual quantum chemistry: present aspects and challenges for the future'. p.55-55

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journalArticle
A1
open access

Maximum probability domains for Hubbard models

Guillaume Acke (UGent) , Stijn De Baerdemacker (UGent) , Pieter Claeys (UGent) , Mario Van Raemdonck (UGent) , Ward Poelmans (UGent) , Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2016) MOLECULAR PHYSICS. 114(7-8). p.1392-1405

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Read-Green resonances in a topological superconductor coupled to a bath

Pieter Claeys (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)

(2016) PHYSICAL REVIEW B. 93(22).

Academic Bibliography

Method for making 2-electron response reduced density matrices approximately N-representable

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

Block product density matrix embedding theory for strongly correlated spin systems

Strategies for extending geminal-based wavefunctions : open shells and beyond

Variational method for integrability-breaking Richardson-Gaudin models

Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods

Atom and bond Fukui functions and matrices : a Hirshfeld-I atoms-in-molecule approach

Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron

Maximum probability domains for Hubbard models

Read-Green resonances in a topological superconductor coupled to a bath

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