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cond-mat.str-el1998
Fixed-node DMC for Fermions on a lattice: Application to the doped Fullerides
Erik Koch, Olle Gunnarsson, Richard M. Martin
Fullerides are crystals made from C60 molecules. When doped with alkali metals the valence electrons of the alkali atoms are transfered to the C60 molecules. We show how to set up…
cond-mat.str-el1998
Quantum Monte Carlo calculations for integer-doped Fullerides
Erik Koch, Olle Gunnarsson, Richard M. Martin
The doped Fullerides can be well described by a Hubbard model, which comprises the partly filled, threefold-degenerate t_1u orbital and the on-site Coulomb interaction U. The orbit…