Olivier Coulaud
8
Documents
Présentation
o
o
Publications
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 1
- 8
- 8
- 7
- 7
- 2
- 1
- 1
- 1
- 1
- 1
- 1
- 2
- 1
- 2
- 1
|
|
Using computed infrared intensities for the reduction of vibrational configuration interaction basesPhysical Chemistry Chemical Physics, 2020, ⟨10.1039/D0CP00593B⟩
Article dans une revue
hal-02524533v1
|
|
|
A-VCI: A flexible method to efficiently compute vibrational spectraJournal of Chemical Physics, 2017, 146 (21), ⟨10.1063/1.4984266⟩
Article dans une revue
hal-01534134v1
|
|
|
Adaptive vibrational configuration interaction (A-VCI): a posteriori error estimation to efficiently compute anharmonic IR spectraJournal of Chemical Physics, 2016, 144 (20)
Article dans une revue
hal-01310708v1
|
|
|
Optimisation of the variational method for vibrational Hamiltonian eigenvalues computation59th Souriau Colloquium: Colloque International de Théories Variationnelles, Jun 2015, Seignosse, France
Communication dans un congrès
hal-01179654v2
|
|
|
Efficient basis selection for the computation of vibrational spectrum10th European Conference on Computational Chemistry, Aug 2015, Fulda, Germany
Communication dans un congrès
hal-01200748v1
|
|
|
Using computed infrared intensities for fast computation of vibrational spectra2019
Pré-publication, Document de travail
hal-02518243v1
|
|
|
A-VCI: a flexible method to efficiently compute vibrational spectra[Research Report] RR-9043, Inria. 2017, pp.35
Rapport
hal-01485877v1
|
|
|
Extensions of the Siesta DFT Code for Simulation of Molecules[Research Report] RR-8221, INRIA. 2013, pp.25
Rapport
hal-00787088v1
|