Screening of a point charge: a fixed-node diffusion Monte Carlo study.

Koch E., Gunnarsson O., Martin R. M.

Max-Planck-Institut fur Festkorperforschung, Stuttgart, 70569, Germany

We study the static screening in a Hubbard-like model using fixed-node diffusion Monte Carlo. We find that the RPA is surprisingly accurate even for metallic systems close to the Mott transition. As a specific application we discuss the implications of the efficient screening for the supercond. in the doped Fullerenes. In the Monte Carlo calcns. we use trial functions with two Gutzwiller-type parameters. To deal with such trial functions, we introduce a method for efficiently optimizing the Gutzwiller parameters, both in variational and in fixed-node diffusion Monte Carlo.

Springer Proceedings in Physics, 85 22-36, 2000.

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