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Professor Fred Manby

Electronic structure theory

Research in the Manby group is focused on the development of new methods in electronic structure theory and quantum chemistry. We are particularly interested in development of accurate wavefunction-based electronic structure theories, and extension of molecular quantum chemistry into the domain of condensed-phase challenges. Successful electronic structure methods are implemented in the Molpro quantum chemistry package, which is distributed to over 500 research institutions around the world.

Manby is a co-Director of the Oxford-Bristol-Southampton Centre for Doctoral Training in Theory and Modelling in Chemical Sciences

Research keywords

  • electronic structure theory
  • quantum chemistry