Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo

Details Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo

1999-03-04

arxiv.org/abs/cond-mat/9903070v1

Phys. Rev. B 59, 15632 (1999)

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages RevTeX with 10 eps figures

Scientific paper

10.1103/PhysRevB.59.15632

Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wavefunctions both, in variational and in fixed-node diffusion Monte Carlo.

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