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CATEGORIES:Theory of Condensed Matter
SUMMARY:Quantum Monte Carlo approach to the full configura
tion interaction problem - Ali Alavi\, University
of Cambridge
DTSTART;TZID=Europe/London:20110203T141500
DTEND;TZID=Europe/London:20110203T151500
UID:TALK28208AThttp://talks.cam.ac.uk
URL:http://talks.cam.ac.uk/talk/index/28208
DESCRIPTION:We have recently developed a quantum Monte Carlo a
pproach to the full configuration interaction prob
lem of quantum chemistry\, and more generally\, of
many-electron theory. The method works by propaga
ting a population of walkers (of positive and nega
tive sign) in determinant space\, according to a s
imple set of rules that are derived from considera
tions of the imaginary-time Schrodinger equation.
A key aspect of the method is that it does not mak
e the fixed-node (or similar) approximations\, tha
t has plagued other Fermion Monte Carlo methods (s
uch as diffusion quantum Monte Carlo)\, and yields
systematically improvable ground-state energies.\
n\nI will describe the method\, and some applicati
ons to atomic and molecular systems\, as well as t
he 3D electron gas.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
CONTACT:Dr G Moller
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