Perturbative calculation of Jastrow factors
Hongjun Luo, Dietmar Kolb, Heinz-Jürgen Flad, and Wolfgang Hackbusch
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Submission date: 25. Apr. 2007
published in: Physical review / B, 75 (2007) 12, art-no. 125111
DOI number (of the published article): 10.1103/PhysRevB.75.125111
with the following different title: Perturbative calculation of Jastrow factors : accurate description of short-range correlations
PACS-Numbers: 71.15.-m, 71.10.-w, 71.10.Ca
Keywords and phrases: Jastrow factors
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We present a perturbative treatment of Jastrow-type correlation factors which focuses on an accurate description of short-range correlations. Our approach is closely related to coupled cluster perturbation theory with the essential difference that we start from a variational formulation for the energy. Such kind of perturbation theory is especially suited for multiscale bases, like wavelets, which provide sparse representations for Jatrow factors. Envisaged applications in solid state physics are confined many-particle systems like electrons or multi excitons in quantum dots. The resulting Jastrow factors can be further used as trial wavefunctions in quantum Monte Carlo calculations for these systems. First applications to a screened homogeneous Fermi gas model demonstrate that already first order Jastrow factors recover 95% of the correlation energy in variational Monte Carlo calculations over a fairly large range of densities and screening parameters. The corresponding second and third order perturbation energies turned out to be more sensitive to the specific choice of the model parameters. Furthermore, we have compared our first order Jastrow factors with those obtained from Fermi hypernetted chain calculations, where excellent agreement at short and intermediate inter-particle distances has been observed.