Peter Knowles


Born March 4, 1960, Liverpool, England.

Professor of Theoretical Chemistry, Cardiff University, UK
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Fellow of the Learned Society of Wales (2011); Royal Society of Chemistry Computational Chemistry Prize (2004); RSC Marlow Medal (1994); RSC Harrison Memorial Prize (1988); SERC Advanced Research Fellow (1987-89); Research Fellow, St. Catharine's College, Cambridge (1983-1989)

Author of:

more than 125 papers in theoretical chemistry

Important Contributions:

  • Full configuration interaction methods and their application in benchmarks, including studies of perturbation theory
  • Multiconfigurational self-consistent field and multireference configuration interaction methods
  • Perturbative and coupled-cluster methods for open-shell and strongly-correlated systems
  • Density-fitting methods
  • Quasi-diabatic states
  • Damped long-range intermolecular interactions
  • Author of the Molpro software package