If you made any changes in Pure these will be visible here soon.

Personal profile

Education/Academic qualification

Doctor of Science, University of Namur

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 3 Similar Profiles
Molecules Chemical Compounds
optical activity Physics & Astronomy
Derivatives Chemical Compounds
signatures Physics & Astronomy
Excited states Chemical Compounds
Quantum chemistry Chemical Compounds
Density functional theory Chemical Compounds
Vibrational spectra Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 2002 2018

Research Output 2005 2018

  • 548 Citations
  • 14 h-Index
  • 39 Article
  • 3 Conference contribution
  • 1 Chapter (peer-reviewed)
Open Access
Excited states
Excitation energy

Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules

Champagne, B., Beaujean, P., De Wergifosse, M., Hidalgo Cardenuto, M., Liégeois, V. & Castet, F. 2018 Frontiers of Quantum Chemistry. Wojcik, M., Nakatsuji, H., Kirtman, B. & Ozaki, Y. (eds.). Singapore: Springer, p. 117-138 21 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter (peer-reviewed)

Optical properties
Quantum chemistry
Electron correlations

Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials

Rauhalahti, M., Taubert, S., Sundholm, D. & Liégeois, V. 2017 In : Physical chemistry chemical physics. 19, 10, p. 7124-7131 8 p.

Research output: Contribution to journalArticle

ring currents
Current density
current density
magnetic permeability
Dipole moment
Density functional theory

Electronic Band Structure of Helical Polyisocyanides

Fripiat, J. G., Champagne, B., Liégeois, V. & Harris, F. E. 13 Sep 2017 In : Journal of Physical Chemistry A. 121, p. 7993-8002 10 p., DOI: 10.1021/acs.jpca.7b07403

Research output: Contribution to journalArticle


Incentive Award 2012

Vincent Liegeois (Recipient), 11 Oct 2012

Prize: Prize (including medals and awards)

Activities 2003 2018

Center for Advanced Study conference: Molecules in Extreme Environments in the honor of Dage Sundholm

Liegeois, V. (Participant)
15 Jan 201817 Jan 2018

Activity: Participation in conference

Quantum Chemistry in Belgium

Beaujean, P. (Poster), Pielak, K. (Poster), Liegeois, V. (Poster), Adjieufack, A. I. (Poster), Champagne, B. (Chairman)
30 Jan 2018

Activity: Participation in conference

Visit of the laboratory of Professor Armand Soldera

Liegeois, V. (Contributor)
12 Sep 2017

Activity: Participation in workshop, seminar, course

Université de Sherbrooke

Liegeois, V. (Visiting researcher)
11 Sep 201713 Sep 2017

Activity: Visiting an external academic institution

17th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVII)

Liegeois, V. (Participant)
11 Jul 201714 Jul 2017

Activity: Participation in conference


A vibrational Raman Optical Activity study of helical oligomers

Author: Liégeois, V., 2006

Supervisor: Champagne, B. (Supervisor)

Student thesis: DEA typesDEA in Chemistry

Density functional theory simulation and interpretation of inelastic electron tunneling spectra of molecular junctions: from model to complex systems

Author: Segerie, A., Oct 2014

Supervisor: Champagne, B. (Supervisor), Bonifazi, D. (Jury), Liegeois, V. (Jury), Cecchet, F. (Jury), Castet, F. (Jury) & Nysten, B. (Jury)

Student thesis: Doc typesDoctor of Sciences

Elaboration d'une méthode de simulation des spectres d'activité optique Raman vibrationnelle

Author: Liégeois, V., 2004

Supervisor: Champagne, B. (Supervisor)

Student thesis: Master typesMaster in Chemistry

Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures

Author: Liégeois, V., 19 Jun 2008

Supervisor: Thiry, P. (Jury), Verbiest, T. (Jury), Hug, W. (Jury), Ruud, K. (Jury), Su, B. L. (Jury) & Champagne, B. (Supervisor)

Student thesis: Doc typesDoctor of Sciences

Quantum chemical investigations of nonlinear optical compounds: from model to complex systems for second harmonic imaging microscopy

Author: de Wergifosse, M., 29 Apr 2014

Supervisor: Champagne, B. (Supervisor), Wouters, J. (President), Liegeois, V. (Jury), Clays, K. (Jury), Leyssens, T. (Jury) & BEARPARK, M. J. (Jury)

Student thesis: Doc typesDoctor of Sciences