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Imaginary-chemical-potential quantum Monte Carlo method for Hubbard molecules
Fei Lin1, Jurij Smakov, Erik S Sørensen
1Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, Canada L8S 4M1.
Abstract:
We generalize the imaginary-chemical-potential quantum Monte Carlo (QMC) method proposed by Dagotto [Phys. Rev. B 41, R811 (1990)] to systems without particle-hole symmetry. The generalized method is tested by comparing the results of the QMC simulations and exact diagonalization on small Hubbard molecules, such as tetrahedron and truncated tetrahedron. Results of the application of the method to the C60 Hubbard molecule are discussed.
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