The excitonic states of four small hydrogenated Si clusters (SiH₄,Si₂H₆,Si₅H₁₂, and Si₁₀H₁₆) are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density approximation can provide suitable zeroth-order approximations in these systems.
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Porter et al. (2001) studied this question.
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