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Quantum Monte Carlo Calculations for Excited Electronic States

    https://doi.org/10.1142/9789812775696_0010Cited by:0 (Source: Crossref)
    Abstract:

    We describe the application of the variational and fixed-node diffusion quantum Monte Carlo methods to calculating the energies of excited electronic states. The discussion is illustrated by applications to the low-lying excited states of the sodium dimer and small hydrogenated silicon clusters.