Ghent University Academic Bibliography

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2017
- U
- journalArticle
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, Paul W. Ayers, Patrick Bultinck UGent, Stijn De Baerdemacker UGent and Dimitri Van Neck UGent (2017) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1116. p.207-219 Mark
2015
- A1
- journalArticle
More insight in multiple bonding with valence bond theory
Kevin Hendrickx UGent, Benoît Braida, Patrick Bultinck UGent and Philippe Charles Hiberty (2015) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1053. p.180-188 Mark
- A1
- journalArticle
A problematic issue for atoms in molecules: impact of (quasi-)degenerate states on Quantum Theory Atoms in Molecules and Hirshfeld-I properties
Patrick Bultinck UGent, Dylan Jayatilaka and Carlos Cardenas (2015) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1053. p.106-111 Mark
- A1
- journalArticle
Six questions on topology in theoretical chemistry
Paul W Ayers, Russell J Boyd, Patrick Bultinck UGent, Michel Caffarel, Ramon Carbó-Dorca, Mauro Causá, Jerzy Cioslowski, Julia Contreras-Garcia, David L Cooper, Philip Coppens, et al. (2015) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1053. p.2-16 Mark
2014
- A1
- journalArticle
Influence of push-pull group substitution patterns on excited state properties of donor-acceptor co-monomers and their trimers
Hilde D de Gier, Bernd J Rietberg, Ria Broer and Remco Havenith UGent (2014) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1040. p.202-211 Mark
2013
- A1
- journalArticle
Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices
Helen van Aggelen, Brecht Verstichel, Guillaume Acke UGent, Matthias Degroote, Patrick Bultinck UGent, Paul W Ayers and Dimitri Van Neck UGent (2013) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1003. p.50-54 Mark
- A1
- journalArticle
A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals
Paul Johnson, Paul W Ayers, Peter A Limacher, Stijn De Baerdemacker UGent, Dimitri Van Neck UGent and Patrick Bultinck UGent (2013) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1003. p.101-113 Mark
- A1
- journalArticle
Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: exploiting translational invariance and parity
Brecht Verstichel, Helen van Aggelen, Ward Poelmans, Sebastian Wouters and Dimitri Van Neck UGent (2013) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1003. p.12-21 Mark
- A1
- journalArticle
The sharp-G N-representability condition
Paul A Johnson, Paul W Ayers, Brecht Verstichel, Dimitri Van Neck UGent and Helen van Aggelen (2013) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1003. p.32-36 Mark
2012
- A1
- journalArticle
Substituent effects in 1,4-disubstituted benzene and cyclohexadiene: olefinic vs aromatic electron shift pathway of the substituent effect
Tadeusz M Krygowski, Michał A Dobrowolski, Michał K Cyrański, Wojciech P Oziminski and Patrick Bultinck UGent (2012) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 984. p.36-42 Mark