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SUMMARY:Quantum Monte Carlo approach to the full configuration interaction
  problem - Ali Alavi\, University of Cambridge
DTSTART:20110203T141500Z
DTEND:20110203T151500Z
UID:TALK28208@talks.cam.ac.uk
CONTACT:Dr G Moller
DESCRIPTION:We have recently developed a quantum Monte Carlo approach to t
 he full configuration interaction problem of quantum chemistry\, and more 
 generally\, of many-electron theory. The method works by propagating a pop
 ulation of walkers (of positive and negative sign) in determinant space\, 
 according to a simple set of rules that are derived from considerations of
  the imaginary-time Schrodinger equation. A key aspect of the method is th
 at it does not make the fixed-node (or similar) approximations\, that has 
 plagued other Fermion Monte Carlo methods (such as diffusion quantum Monte
  Carlo)\, and yields systematically improvable ground-state energies.\n\nI
  will describe the method\, and some applications to atomic and molecular 
 systems\, as well as the 3D electron gas.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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