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Molecular physics and astrophysics group


Electron collisions



    "The underlying physical laws necessary for the mathematical theory for a large part of physics and the whole of chemistry are thus completely known and the difficulty is only that the exact application of these laws lead to equations much too complicated to be soluble."  
  P.A.M. Dirac (1929)  

Molecular Spectroscopy


Atmosperic models



Modern computers mean that it is now possible to solve many problems in the physics of small molecules. The group addresses fundamental problems such as:

Spectroscopy   H2O (v,J) + hv arrow.gif H2O (v*,J*)
Photodissociation   H3+ + hv arrow.gif H2 + H+
Photoionization   H2 + hv arrow.gif H2+ + e-
Electron scattering   H2+ + e- arrow.gif H2+ + e-
Positron scattering   H2 + e+ arrow.gif H2 + e+
Electron impact excitation   H2 + e- arrow.gif H2* + e-
Dissociative recombination   HeH+ + e- arrow.gif He + H

Where * denotes excitation.

paying particular attention to those processes for which information is urgently required.

To do this we often use the latest supercomputers and develop appropriate algorithms. The group is involved in:

  • ChemReact : the high performance computing initiative consortium on Chemical Reactions and Energy Exchange Processes.
  • CCP2 : Collaborative Computational Project Two on Continuum States of Atoms and Molecules
  • CCP6 : Collaborative Computational Project Six on Heavy Particle Dynamics