Jean-Paul Malrieu

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:

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.