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Showing 1 to 1 of 1 for “"correlation function monte carlo"”.
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Energetics of neutral interstitials in germanium
… are calculated with the accurate Diffusion Monte Carlo (DMC) method. Taking care to minimize errors, calculations are performed for 216 atom systems. Formation energies for hexagonal, tetragonal, and split/dumbbell structures are found to be 5.3 eV, 6.1 eV, and 4.7 eV, respectively; a …