Electron correlations in the ground state of silicon.
作者： M. V. Ganduglia-Pirovano , G. Stollhoff , P. Fulde , K. P. Bohnen
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摘要: The correlated ground-state wave function and energy of diamond are calculated. calculations done in order to demonstrate that electron correlations solids can be treated with the same accuracy as small systems. This is achieved by applying a recently developed Local Approach correlation problem. approach requires SCF calculation starting point. We present such for method due Stoll Preuss which uses localization potentials. analysed terms inter- intraatomic contributions. results used calculate binding diamond.
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