Jean P. Malrieu

Born July 4, 1939 in Colmar, France.

Directeur de Recherches au CNRS IRSAMC, Université Paul Sabatier, Toulouse, France.

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.