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Linked coupled cluster Monte Carlo.

Abstract

We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the critical population required to correctly sample the wavefunction for a range of systems and excitation levels and hence leads to a substantial reduction in the computational cost. This development has the potential to substantially extend the range of the method, enabling it to be used to treat larger systems with excitation levels not easily accessible with conventional deterministic methods.R.S.T.F. is grateful to CHESS for a studentship and A.J.W.T. to the Royal Society for a University Research Fellowship. J.S.S. acknowledges the research environment provided by the Thomas Young Centre under Grant No. TYC-101.This is the author accepted manuscript. The final version is available from the American Institute of Physics via http://dx.doi.org/10.1063/1.494031

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