Monsieur Grégoire DAVID / PhD

Contact details

Research : NON

Title : Sciences Chimiques

First registration date : 1 October 2015 / 3A

Doctoral school : Sciences Chimiques - Marseille

Thesis defense date : 16 November 2018

Subject : Décomposition de l'interaction d'échange magnétique par l'approche à brisure de symétrie : Théorie et applications

Thesis supervisor : FERRE Nicolas

Thesis co-supervisor :

Research unit : ICR - Institut de Chimie Radicalaire

Title : Physique de la Matière

- Université Paul sabatier

Qualitative Views on the Polyradical Character of Long Acenes
Journal of Physical Chemistry A, 2018
Georges Trinquier, Grégoire David, Jean-Paul Malrieu
What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?
Journal of Chemical Theory and Computation, 2017
Grégoire David, Nathalie Guihéry, Nicolas Ferre
Scrutinizing "invisible" astatine: A challenge for modern density functionals
Journal of Computational Chemistry, 2016
Dumitru-Claudiu Sergentu, Grégoire David, Gilles Montavon, Rémi Maurice, Nicolas Galland
Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory
Inorganic Chemistry, 2018
Grégoire David, Frank Wennmohs, Frank Neese, and Nicolas Ferré
A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism
The Journal of Chemical Physics, 2016
E. Giner, G. David, A. Scemama, and J. P. Malrieu
https://doi.org/10.1063/1.4940781

Anglais : C1 - Avancé

Français : C2 - Maternel