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SUMMARY:QMC applied to two-component molecular systems - Dr Ryo Maezono\, 
 Japan Advanced Institute of Science and Technology
DTSTART:20090423T131500Z
DTEND:20090423T141500Z
UID:TALK15569@talks.cam.ac.uk
CONTACT:Richard Needs
DESCRIPTION:Two-component treatment of molecular systems is developed\nby 
 making extensions on the ab-initio QMC code\, CASINO\,\nexplicitly dealing
  with proton or positron.\nIt is straightforward to get successful results
  obtained for\nLiH\;e+ and HCN\;e+.\nFor proton dynamics\, however\, more 
 careful extensions\nare required to remove the contributions\ndue to trans
 lational and rotational motions of the centre of mass.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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