A novel quantum Monte Carlo method for molecular systems
This thesis is concerned with the development of a new <i>ab initio </i>Monte Carlo method for the evaluation of exact, basis set correlation energies. A simple set of rules acting on signed walkers allow for the simulation of the underlying imaginary-time Schrödinger equation in a finit...
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University of Cambridge
2010
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596772 |