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Showing 1 to 1 of 1 for “"Diffusions Quanten Monte Carlo"”.

  1. Excited states and transition metal compounds with quantum Monte Carlo

    Bande, AnnikaPublikationsserver der RWTH Aachen University2007

    … (VMC) and fixed-node diffusion quantum Monte Carlo (FN-DMC) is tested for challenging electron structure problems using the quantum Monte Carlo amolqc code by Lüchow et al. The transition metal compounds under consideration are vanadium oxides. Here excitation, ionization, oxygen atom …

    aachen Repository record