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Born July 4, 1939 in Colmar, France.
Directeur de Recherches au CNRS IRSAMC, Université Paul Sabatier, Toulouse, France.
Email: malrieu@irsamc.ups-tlse.fr
Author of:
More than 350 papers
Coeditor of one book
Important Contributions:
Developments of theoretical tools
- perturbative approaches to the electronic correlation from semiempirical (PCILO) and exact (CIPSI) Hamiltonians
- non-perturbative size consistent methods as dressing of CI matrices, from single and multireference descriptions, of Coupled Electron Pair or Coupled Cluster character
- symmetry breaking and the physics of electronic correlation
- effective core-valence potentials
- theory of effective Hamiltonians, definition and properties of intermediate Hamiltonians
- difference-dedicated CI and observable dedicated MO's
- diabatic descriptions
- localized approaches and Valence Bond description as a tool for analysis
- production and exploitation of Heisenberg Hamiltonians for conjugated hydrocarbons
- correlated treatment of periodic systems, dressed cluster, real space renormalisation group
Applications to
- spectroscopy of small molecules
- chemistry of unusual double bonds
- clusters
- molecular and solid state magnetism
- mixed valence compounds
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